Results for:
Species: Clostridium difficile R087

Methanol

Mass-Spectra

Compound Details

Synonymous names
Monohydroxymethane
Hydroxymethylidyne radical
Hydroxymethane
Hydroxymethyl
Methylalcohol
Methylalkohol
Bieleski's solution
Eureka Products Criosine Disinfectant
ADSJRDYXKYXFKM-UHFFFAOYSA-N
Alcool methylique
carbinol
Carbonal
Columbian spirits
Ideal Concentrated Wood Preservative
Metanolo
methanol
Methylol
OKKJLVBELUTLKV-UHFFFAOYSA-N
OXYMETHYLENE BRIDGING GROUP
Pyroxylic spirits
Alcool metilico
Alkohol metylowy
Colonial Spirit
Colonial spirits
Columbian Spirit
hydroxyl carbon
menthol crystal
Metanol
Methanol cluster
Methyl hydroxide
Methylic alcohol
Metylowy alkohol
Pyroxylic spirit
RFPDX@
MeOH
Methanol-water mixture
Methoxy Group
methyl alcohol
Methyl hydrate
MetOH
Wood
Methanol NF
Methanol, analytical standard
Methanol, Environmental Grade
MOH
OMB
OME
Pyro alcohol
Solutions, Bieleski's
wood alcohol
Wood naphtha
Wood spirit
CH3OH
Freers Elm Arrester
JandaJel™-OH
Methanol HPLC Gradient Grade
methanol-
Methanol, anhydrous
Methanol, Biograde
Methanol, ultrapure, Spectrophotometric Grade
AC1O5DUN
CH4O
Eureka Products, Criosine
Methanol Reagent Grade ACS
Alcohol, methyl
Methanol LC-MS
Methanol, NMR reference standard
Spirit of wood
Wilbur-Ellis Smut-Guard
Methylalkohol [German]
Nat. Methanol
1 -Napthaldehyde
AC1Q41DX
HYD-CH2
Methanol (Recovered)
Methanol, ACS Grade
Methanol, HPLC grade
Methanol, suitable for determination of dioxins
ACMC-1C6GT
Alcool methylique [French]
Metanol [Spanish]
Metanolo [Italian]
Methanol, BioReagent, suitable for protein sequencing
Methanol, for HPLC
Methanol, or methyl alcohol
Methanol, SAJ special grade
Surflo-B17
AC1L1A92
Alcool metilico [Italian]
HSDB 93
KSC272E0H
methanol (methyl alcohol)
Methanol (Peptide Grade)
Methanol GC, for residue analysis
Methanol, low water for titration
Methanol, pharmaceutical secondary standard; traceable to USP
Metylowy alkohol [Polish]
UNII-N4G9GAT76C component OKKJLVBELUTLKV-UHFFFAOYSA-N
8292AF
CB0177
CHEMBL14688
Methanol, spectrophotometric grade, >=99%
Methanol, ultrapure, HPLC Grade
UN1230
CTK1H2203
HMDB01875
M0097
M0628
WLN: Q1
Y4S76JWI15
Methyl alcohol (NF)
Methyl alcohol [NF]
NSC85232
RL04579
X-Cide 402 Industrial Bactericide
bmse000294
C00132
CCRIS 2301
Coat-B1400
D02309
LTBB002976
Rcra waste number U154
UNII-Y4S76JWI15
DTXSID2021731
LS-1564
Methanol, Absolute - Acetone free
OR034284
OR079735
OR242169
OR283105
OR325435
UN 1230
300138X
CHEBI:17790
Columbian spirits
DSSTox_CID_1731
Methyl alcohol, United States Pharmacopeia (USP) Reference Standard
AN-41892
ANW-42510
DSSTox_GSID_21731
Methanol solution, technical grade, 95%
NSC 85232
NSC-85232
SC-46858
Caswell No. 552
DSSTox_RID_76297
Methanol, LR, >=99%
MFCD00004595
AI3-00409
RTR-022695
TR-022695
AKOS000269045
EPA Pesticide Chemical Code 053801
Epitope ID:116865
Methanol, >=99.8%, for chromatography
Methanol, ACS spectrophotometric grade, >=99.9%
Methanol, anhydrous, >=99.5%
Methanol, Laboratory Reagent, >=99.6%
RCRA waste no. U154
FT-0623465
FT-0628297
Methanol, anhydrous, 99.8%
Methanol, purification grade, 99.8%
67-56-1
I14-12647
Methanol, >=99.8%, suitable for absorption spectrum analysis
Tox21_111094
Tox21_202523
Methanol with 0.1% trifluoroacetic acid, tested for UHPLC-MS
Methanol, ACS reagent, >=99.8%
Methanol, AR, >=99.5%
Methanol, HPLC gradient, 99.9%
Methanol, UV HPLC spectroscopic, 99.9%
CAS-67-56-1
Methanol, 99.8%, ACS reagent
Methanol, 99% 500ml
Methanol, for HPLC, >=99.8%
Methanol, for HPLC, >=99.9%
Methanol, HPLC Plus, >=99.9%
Methanol, JIS special grade, >=99.8%
Methanol, PRA grade, >=99.9%
MCULE-1370061678
Methanol solution, for protein sequence analysis, ~50% in H2O
Methanol, SAJ first grade, >=99.5%
NCGC00091172-01
NCGC00260072-01
EINECS 200-659-6
54841-71-3
Methanol, suitable for protein sequencing, BioReagent, >=99.93%
170082-17-4
InChI=1/CH4O/c1-2/h2H,1H
Residual Solvent Class 2 - Methanol, United States Pharmacopeia (USP) Reference Standard
Methanol, for HPLC, gradient grade, >=99.9%
Methanol, for residue analysis, suitable for 5000 per JIS
MolPort-000-871-956
1173023-83-0
Methanol, HPLC Plus, >=99.9%, poly-coated bottles
Methanol, semiconductor grade PURANAL(TM) (Honeywell 17824)
Methanol solution, contains 0.1 % (v/v) trifluoroacetic acid
Methanol, p.a., 99.8%
Methanol, p.a., 99.9%
Methanol solution, contains 0.50 % (v/v) triethylamine
Methanol, for HPLC, gradient grade, 99.93%
Methanol, semiconductor grade VLSI PURANAL(TM) (Honeywell 17744)
A(3/4)(3/4)<<
Methanol, Vetec(TM) reagent grade, anhydrous, >=99.8%
Methanol solution, (Methanol:Dichloromethane 1:1 (v/v))
Methanol solution, (Methanol:Acetonitrile 1:1 (v/v))
Methanol solution, (Methanol:Dimethyl sulfoxide 1:1 (v/v))
Methanol solution, contains 0.10 % (v/v) formic acid
Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]
Methanol, for HPLC, gradient grade, >=99.8% (GC)
Methanol, for HPLC, gradient grade, suitable as ACS-grade LC reagent, >=99.9%
Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]
Methanol, suitable for 300 per JIS, >=99.8%, for residue analysis
Methanol, puriss., meets analytical specification of Ph Eur, >=99.7% (GC)
Methanol, suitable for 1000 per JIS, >=99.8%, for residue analysis
Moisture in methanol, 93 mg/kg, NIST(R) SRM(R) 8509
Methanol, puriss. p.a., absolute, ACS reagent, >=99.8% (GC)
Moisture in methanol, 325 mg/kg, NIST(R) SRM(R) 8510
Methanol solution, contains 0.10 % (v/v) trifluoroacetic acid, 10 % (v/v) water
Methanol solution, contains 0.1 % (v/v) trifluoroacetic acid, 5 % (v/v) water, for HPLC
Methanol solution, for HPLC, contains 10 % (v/v) water, 0.1 % (v/v) trifluoroacetic acid
Methanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.9%
JandaJel(TM)-OH, 50-100 mesh, extent of labeling: 1.0 mmol/g OH loading, 2 % cross-linked
JandaJel(TM)-OH, 100-200 mesh, extent of labeling: 1.0 mmol/g OH loading, 2 % cross-linked
JandaJel(TM)-OH, 200-400 mesh, extent of labeling: 1.0 mmol/g OH loading, 2 % cross-linked
Methanol solution, NMR reference standard, 4% in methanol-d4 (99.8 atom % D), NMR tube size 3 mm x 8 in.
Methanol solution, NMR reference standard, 4% in methanol-d4 (99.8 atom % D), NMR tube size 5 mm x 8 in.
Methanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8% (GC)
Microorganism:

Yes

IUPAC namemethanol
SMILESCO
InchiInChI=1S/CH4O/c1-2/h2H,1H3
FormulaCH3OH
PubChem ID887
Molweight32.042
LogP-0.52
Atoms6
Bonds5
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details

Volatilization
The measured Henry's Law constant for methanol at 25 deg C is 4.55X10-6 atm-cu m/mole(SRC)(1). This Henry's Law constant indicates that methanol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 4.6 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 35 days(SRC). Methanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methanol from dry soil surfaces may exist(SRC) based upon a vapor pressure of 127 mm Hg(3).
Literature: (1) Gaffney JS et al; Environ Sci Technol 21: 519-23 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Boublik T et al, eds; The Vapour Pressures of Pure Substances. 2nd rev ed. Amsterdam: Elsevier (1984)
Soil Adsorption
The measured Koc for methanol is reported to be 2.75(1). According to a classification scheme(2), this estimated Koc value suggests that methanol is expected to have very high mobility in soil(SRC).
Literature: (1) Schuurmann G et al; Environ Sci Technol (supplemental material) 40: 7005-7011 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
127 mm Hg at 25 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaClostridium Difficile R002nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R013nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R014/R020nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R026nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R027nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R076nanaKuppusami et al., 2015
BacteriaClostridium Difficile R078nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R087nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaEscherichia Colin/aBunge et al., 2008
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaShigella Flexnerin/aBunge et al., 2008
FungiCandida Tropicalisn/aBunge et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaClostridium Difficile R002brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R013brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R014/R020brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R026brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R027brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R076brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R078brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R087brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Sp.n/an/a
BacteriaEscherichia Colin/an/a
BacteriaSalmonella Enterican/an/a
BacteriaShigella Flexnerin/an/a
FungiCandida Tropicalisn/an/a


Methylsulfanylmethane

Mass-Spectra

Compound Details

Synonymous names
METHYLSULFANYLMETHANE
Methanethiomethane
Dimethylsulphide
Methylthiomethane
dimethylsulfane
Dimethylsulfid
dimethylsulfide
Methylsulphide
Methylthiomethyl radical
Thiobismethane
(Methylthiomethylidyne)radical
methylsulfide
Dimethyl monosulfide
Thiopropane
dimethyl sulphide
Dimethyl thioether
Methyl monosulfide
QMMFVYPAHWMCMS-UHFFFAOYSA-N
reduced dimethyl sulfoxide
dimethyl sulfide
Methyl sulphide
Methyl thioether
Thiobis-methane
(Methylsulfanyl)methane
Methyl sulfide
REDUCED-DMSO
(methylthio)methane
Dimethyl sulfide, analytical standard
Dimethyl sulfoxide(Reduced)
Sulfure de methyle
(Methylsulfanyl)methane #
2-Thiapropane
2-Thiopropane
AC1L1ANN
Exact-S
Thiobis(methane)
ACMC-1BBLH
C2H6S
Dimethylsulfid [Czech]
Nat. Dimethyl Sulfide
Dimethyl sulfide (natural)
Methane, thiobis-
QS3J7O7L3U
KSC377G0P
Sulfide, methyl-
6873AF
CHEMBL15580
Dimethyl sulfide, >=99%
UN1164
UNII-QS3J7O7L3U
CTK2H7307
Dimethyl sulfide, 98%
HMDB02303
HSDB 356
M0431
[SMe2]
RP18263
Sulfure de methyle [French]
C00580
LTBB002388
(CH3)2S
DTXSID9026398
LS-2960
methyl sulphide, dimethyl sulphide, exact-S, thiobismethane
OR000121
OR337379
STL481894
UN 1164
A838342
CHEBI:17437
AN-23841
ANW-36574
KB-76628
SC-26847
Dimethyl sulfide, >=99%, FCC
MFCD00008562
AI3-25274
RTR-024212
TR-024212
AKOS009031411
I09-0087
Q-100810
BRN 1696847
Dimethyl sulfide, anhydrous, >=99.0%
FEMA No. 2746
FT-0603084
Methane, 1,1'-thiobis-
75-18-3
Dimethyl sulfide, 99% 250ml
MCULE-4525381422
Dimethyl sulfide, redistilled, >=99%, FCC, FG
EINECS 200-846-2
31533-72-9
Dimethyl sulfide [UN1164] [Flammable liquid]
Dimethyl sulfide, >=95.0% (GC)
Dimethyl sulfide, natural, >=99%, FCC, FG
MolPort-003-928-951
Dimethyl sulfide [UN1164] [Flammable liquid]
13741-EP2269977A2
13741-EP2277865A1
13741-EP2280006A1
13741-EP2284171A1
13741-EP2287153A1
13741-EP2298767A1
13741-EP2305656A1
13741-EP2308851A1
13741-EP2308873A1
13741-EP2311820A1
13741-EP2314576A1
13741-EP2314587A1
13741-EP2316836A1
13838-EP2292595A1
13838-EP2295409A1
13838-EP2295426A1
13838-EP2295427A1
13838-EP2295437A1
13838-EP2298775A1
13838-EP2311820A1
13838-EP2316836A1
18767-EP2270003A1
18767-EP2272832A1
18767-EP2277848A1
18767-EP2292576A2
18767-EP2292597A1
18767-EP2301933A1
18767-EP2305672A1
18767-EP2308510A1
18767-EP2308838A1
18767-EP2308877A1
18767-EP2311827A1
18767-EP2314576A1
18767-EP2314587A1
47704-EP2280006A1
47704-EP2311811A1
80926-EP2295426A1
80926-EP2295427A1
80926-EP2305687A1
Dimethyl sulfide, puriss., >=99.0% (GC)
InChI=1/C2H6S/c1-3-2/h1-2H
4-01-00-01275 (Beilstein Handbook Reference)
Microorganism:

Yes

IUPAC namemethylsulfanylmethane
SMILESCSC
InchiInChI=1S/C2H6S/c1-3-2/h1-2H3
FormulaC2H6S
PubChem ID1068
Molweight62.13
LogP1.22
Atoms9
Bonds8
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationSulfides Sulfide thioethers sulfur compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for dimethyl sulfide has been measured as 1.61X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl sulfide is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3 days(SRC). Dimethyl sulfides's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dimethyl sulfide from dry soil surfaces may exist(SRC) based upon a vapor pressure of 502 mm Hg(3).
Literature: (1) Gaffney, JS et al; Env Sci Tech 21: 519-23 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Vol 4. Design Inst Phys Prop Data, Amer Inst Chem Eng, NY, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of dimethyl sulfide is estimated as 6.3(SRC), using a water solubility of 22,000 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dimethyl sulfide is expected to have very high mobility in soil.
Literature: (1) Suzuki T; J Comp-Aided Molec Des 5: 149-66 (1991) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm as of Oct 1, 2009. (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Air-dried, unsterilized moist, and sterilized moist soils exposed to air initially containing 500 ppm dimethyl sulfide adsorbed an avg of 32, 308, and 10 ug dimethyl sulfide/g soil, respectively, in 15 days(1). Time required for complete sorption of dimethyl sulfide by moist soil from air initially containing 100 ppm dimethyl sulfide: soil 1 (Weller) - 1st exposure 150 min, 2nd exposure 100 min, 3rd exposure 95 min; soil 2 (Harps) - 1st exposure 45 min, 2nd exposure 24 min, 3rd exposure 19 min(1). These data suggest that moist soils have a greater tendency to adsorb dimethyl sulfide than dry soils, and that microbial activity in moist soils may be responsible for greater adsorption(1). When natural gas containing 0.5 pounds of dimethyl sulfide per million cubic feet of gas was passed through a bed of pulverized, dry, montmorillonite clay, dimethyl sulfide exhibited a fast breakthrough (2 hours) and a fast build-up rate in effluent gas (85% of influent concn 4 hours after breakthrough), suggesting that dimethyl sulfide does not adsorb to dry soils(2).
Literature: (1) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976) (2) Williams RP; Oper Sect Proc - Am Gas Assoc pp. T29-T37 (1976)
Vapor Pressure
PressureReference
502 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaAlcaligenes Faecalisn/aSchulz and Dickschat, 2007
BacteriaAlpha Proteobacteria Groupn/aSchulz and Dickschat, 2007
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaDesulfovibrio Acrylicusn/aSchulz and Dickschat, 2007
BacteriaGamma Proteobacterian/aSchulz and Dickschat, 2007
BacteriaLactobacillus Sp.n/aSchulz and Dickschat, 2007
BacteriaLactococcus Sp.n/aSchulz and Dickschat, 2007
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaParasporobacterium Paucivoransn/aSchulz and Dickschat, 2007
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPseudomonas Aeruginosa PA01stimulates growth of Aspergillus fumigatusnaBriard et al., 2016
BacteriaPseudomonas Flureorescens SBW25Cheng et al. 2016
BacteriaPseudonocardia Thermophila DSM 43832nasoilWilkins, 1996
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaSerratia Sp. DM1the results led us to propose a possible new direct long-distance mechanism of action for WT antagonistic F. oxysporum that is mediated by vocsMinerdi et al., 2009
Fungi Fusarium Sp.Brock et al. 2011
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
Fungi Penicillium Sp.Larsen 1998
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
BacteriaMycobacterium Bovisn/aMCNerney et al., 2012
BacteriaPseudomonas Putida KT 2442nanaSchoeller et al., 1997
FungiTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
BacteriaClostridium Difficile R002nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R013nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R014/R020nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R026nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R027nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R076nanaKuppusami et al., 2015
BacteriaClostridium Difficile R087nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaEnterobacter AgglomeransRobacker and Lauzon 2002
BacteriaPseudomonas AeruginosaclinicPreti., 2009
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiTuber Aestivumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Brumalen/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Magnatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Mesentericumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaAlcaligenes Faecalisn/an/a
BacteriaAlpha Proteobacteria Groupn/an/a
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaClostridium Sp.n/an/a
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaDesulfovibrio Acrylicusn/an/a
BacteriaGamma Proteobacterian/an/a
BacteriaLactobacillus Sp.n/an/a
BacteriaLactococcus Sp.n/an/a
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaParasporobacterium Paucivoransn/an/a
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
BacteriaPseudomonas Flureorescens SBW25Kings B + rif,+kann; PDA GC-Q-TOF-MSno
BacteriaPseudonocardia Thermophila DSM 43832Nutrient agar CM3GC/MS
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaSerratia Sp. DM1LB mediumSPME/GC-MS
Fungi Fusarium Sp.no
FungiPenicillium Commune PittMEAGC/MS
Fungi Penicillium Sp.no
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Uncinatumn/aSPME-GC-MS
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
BacteriaClostridium Difficile R002brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R013brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R014/R020brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R026brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R027brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R076brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R087brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaEnterobacter Agglomeransno
BacteriaPseudomonas AeruginosaBlood agar/chocolate blood agaHS-SPME/GC-MS no
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


S-methyl Ethanethioate

Compound Details

Synonymous names
Methylthioacetate
Methyl thiolacetate
Methanethiol acetate
methyl ethanethioate
S-METHYLTHIOACETATE
OATSQCXMYKYFQO-UHFFFAOYSA-N
S-Methyl ethanethioate
S-Methyl thioacetate
AC1L2KFM
S-Methyl thioacetate, AldrichCPR
S-Methyl ethanethioate #
Thioacetic acid S-methyl ester
Ethanethioic acid, methyl ester
AC1Q68RR
ACMC-1BTZ5
PF2D4MWX79
KSC493A2H
Ethanethioic acid, S-methyl ester
UNII-PF2D4MWX79
M2286
CTK3J3023
CH3C(O)SCH3
FCH918358
OR031401
OR224946
OR224947
DTXSID3073264
ZINC2004049
CHEBI:51280
CJ-07327
1-(methylsulfanyl)ethan-1-one
AB1006061
AN-49402
CJ-30959
ZINC02004049
MFCD00014989
Ethanethioic acid,S-methyl ester (9CI)
RT-001199
Q-100182
I09-0174
AKOS006229807
FT-0659567
Acetic acid, thio-, S-methyl ester
S-Methyl thioacetate, natural, >=96%, FG
1534-08-3
EINECS 216-252-1
MolPort-006-113-372
InChI=1/C3H6OS/c1-3(4)5-2/h1-2H
Microorganism:

Yes

IUPAC nameS-methyl ethanethioate
SMILESCC(=O)SC
InchiInChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
FormulaC3H6OS
PubChem ID73750
Molweight90.14
LogP0.68
Atoms11
Bonds10
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters Ester sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaPseudomonas Chlororaphis 450naRhizosphere of maize, Kiev region, UkrainePopova et al., 2014
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaClostridium Difficile R002nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R005nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R013nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R014/R020nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R026nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R027nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R078nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R087nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R107nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus IFO 13014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Rishiriensis AMI 224Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaPseudomonas Chlororaphis 450LB mediumSPME-GC/MSNo
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBrevibacterium Linensn/an/a
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaLactococcus Lactisn/an/a
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaStreptomyces Albidoflavusn/an/a
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Spp.n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaClostridium Difficile R002brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R005brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R013brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R014/R020brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R026brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R027brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R078brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R087brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R107brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo