Results for:
Species: Mycobacterium intracellulare

4-methoxybenzohydrazide

Mass-Spectra

Compound Details

Synonymous names
4-Methoxybenzhydrazide
4-Methoxybenzohydrazide
3290-99-1
p-Anisic hydrazide
p-Anisoylhydrazine
4-Methoxybenzoic acid hydrazide
Anisic hydrazide
4-Methoxybenzoylhydrazine
Anisoylhydrazine
p-Anisic acid, hydrazide
Anisic acid hydrazide
(p-Methoxybenzoyl)hydrazine
Benzoic acid, 4-methoxy-, hydrazide
4-Methoxybenzene-1-carbohydrazide
p-Methoxybenzoic acid hydrazide
p-Methoxybenzoic hydrazide
(4-Methoxybenzoyl)hydrazide
p-Methoxy benzhydrazide
Hydrazine, 4-methoxybenzoyl-
4-Methoxybenzoyl hydrazide
p-Anisohydrazide
(4-Methoxybenzoyl)hydrazine
Benzoic acid, p-methoxy-, hydrazide
NSC 76223
p-methoxybenzhydrazide
4-methoxy benzhydrazide
p-Methoxybenzoyl hydrazide
CHEMBL1588015
MFCD00017073
NSC-76223
33BK77102I
p-Anisic acid hydrazide
p-methoxy benzohydrazide
EINECS 221-952-5
4-Methoxybenzoic hydrazide
anisohydrazide
BRN 0389017
UNII-33BK77102I
p-methoxybenzohydrazide
4MeOPhCON2
4-methoxy-benzohydrazide
P-ANISOYLHYDRAZIDE
4-Methoxybenzohydrazide #
WLN: ZMVR DO1
Oprea1_578754
Oprea1_834050
303084-44-8
4-10-00-00454 (Beilstein Handbook Reference)
MLS000833598
4-Methoxybenzhydrazide, 97%
SCHEMBL407188
METHOXYBENZHYDRAZIDE, 4-
4-methoxy-benzoic acid hydrazide
4-Methoxybenzoic acid, hydrazide
DTXSID60186556
HMS2804K19
NSC76223
STR02684
BBL005388
BDBM50340089
STK089128
AKOS000194883
MCULE-8901256628
NCGC00246653-01
SMR000457119
SY005826
DB-013162
AM20040183
CS-0116725
M1770
NS00029380
4-methoxybenzohydrazide;4-Methoxybenzhydrazide
EN300-18129
I11428
A821514
W-106806
Q27256258
Z57199662
F1335-0033
Microorganism:

Yes

IUPAC name4-methoxybenzohydrazide
SMILESCOC1=CC=C(C=C1)C(=O)NN
InchiInChI=1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
FormulaC8H10N2O2
PubChem ID76792
Molweight166.18
LogP0.2
Atoms12
Bonds2
H-bond Acceptor3
H-bond Donor2
Chemical Classificationhydrazines benzenoids ethers aromatic compounds nitrogen compounds
Supernatural-IDSN0323114

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium Bovisclinical isolate,abscess,bladder cancerMellors et al. 2017
ProkaryotaMycobacterium Intracellulareclinical isolate,sputum,AIDS patientMellors et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Bovis7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaMycobacterium Intracellulare7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno


Compound Details

Synonymous names
ANISOLE
Methoxybenzene
100-66-3
Methyl phenyl ether
Benzene, methoxy-
Anisol
Phenyl methyl ether
Phenoxymethane
Anizol
Phenol methyl ether
Ether, methyl phenyl
Benzene, methoxy
Methoxy-Benzene
HSDB 44
4-methoxybenzene
methylphenyl ether
FEMA No. 2097
FEMA Number 2097
NSC 7920
UNII-B3W693GAZH
EINECS 202-876-1
B3W693GAZH
CHEBI:16579
AI3-00042
Ether, methyl phenyl-
NSC-7920
DTXSID4041608
EC 202-876-1
MFCD00008354
ANISOLE (USP-RS)
ANISOLE [USP-RS]
UN2222
anisole-
4-methoxy benzene
Anethole,(S)
Methyl phenyl-Ether
Anisole, 8CI
Methoxy-Benzeneanisole
ANISOLE [FHFI]
ANISOLE [HSDB]
ANISOLE [FCC]
ANISOLE [MI]
Methoxy-benzene (anisol)
bmse010217
SCHEMBL1205
WLN: 1OR
Anisole, analytical standard
Anisole, anhydrous, 99.7%
SCHEMBL497674
FEMA NUMBER: 2097
CHEMBL278024
DTXCID2021608
SCHEMBL12015260
Anisole, ReagentPlus(R), 99%
DTXSID10938426
DTXSID80178670
NSC7920
CHEBI:192244
METHOXY-BENZENE (ANISOL)
Anisole, >=99%, FCC, FG
AMY38503
BDBM50386177
STL263485
AKOS000120161
CCG-266043
MCULE-2691526560
UN 2222
Anisole [UN2222] [Flammable liquid]
LS-13275
DB-003588
A0492
NS00003297
EN300-16114
C01403
M03556
Q312244
J-000194
Z53833865
F1908-0172
Anisole, United States Pharmacopeia (USP) Reference Standard
InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H
Anisole, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC nameanisole
SMILESCOC1=CC=CC=C1
InchiInChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
FormulaC7H8O
PubChem ID7519
Molweight108.14
LogP2.1
Atoms8
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids ethers aromatic compounds
CHEBI-ID16579
Supernatural-IDSN0322472

mVOC Specific Details

Boiling Point
DegreeReference
155.5 °C peer reviewed
Volatilization
The Henry's Law constant for anisole estimated to be 4.35X10-3 atm-cu-m/mol(SRC) using a fragment constant estimation method(1). This value indicates that anisole will volatilize rapidly from water(2,SRC). Using this value for the Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing at 1 m/s with a wind speed of 3 m/s) is estimated as 3.2 hr(2,SRC). Similarly, the volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind volocity of 0.5 m/sec) is estimated as 4.2 days(2,SRC). Anisole's moderate vapor pressure, 3.5 mm Hg at 25 deg C(3), low adsorptivity to soil, and high Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil may occur(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15, 16 (1982) (3) Ambrose D et al; J Chem Therm 8: 165-78 (1976) (4) Bahnick DA, Doucette WJ; Chemosphere 17: 1703-15 (1988)
Soil Adsorption
An experimental Koc of 35 has been reported for anisole(1). Using an estimation method based on molecular connectivity indices(2), the Koc for anisole is estimated to be 118(SRC). According to a suggested classification scheme(3), these Koc values respectively suggest that anisole would be very highly mobile and highly mobile in soil and would readily leach(SRC).
Literature: (1) Bahnick DA, Doucette WJ; Chemosphere 17: 1703-15 (1988) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.472 kPa (3.54 mm Hg) @ 25 deg CAmbrose D et al; J Chem Therm 8: 165-78 (1976)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium Aviumclinical isolate,blood,AIDS patientMellors et al. 2017
ProkaryotaMycobacterium Bovisclinical isolate,abscess,bladder cancerMellors et al. 2017
ProkaryotaMycobacterium Xenopiclinical isolate,sputum,AIDS patientMellors et al. 2017
ProkaryotaMycobacterium Intracellulareclinical isolate,sputum,AIDS patientMellors et al. 2017
ProkaryotaBacillus SubtilisNAGao et al. 2018
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
EukaryotaAspergillus VersicolorNASunesson et al. 1995
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Melanosporumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaAspergillus Versicolornadamp indoor environments, food productsSunesson et al. 1995
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaAspergillus Candiduscompost Fischer et al. 1999
EukaryotaAspergillus Versicolorcompost Fischer et al. 1999
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
EukaryotaLentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Avium7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaMycobacterium Bovis7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaMycobacterium Xenopi7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaMycobacterium Intracellulare7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaBacillus SubtilisLuria-Bertani (LB) agarHS / SPME / GC-MSno
ProkaryotaChondromyces Crocatusn/an/ano
EukaryotaAspergillus Versicolorno
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaAspergillus VersicolorDG18GC/MSno
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaAspergillus Candidusyest extract sucroseTenax/GC-MSno
EukaryotaAspergillus Versicoloryest extract sucroseTenax/GC-MSno
ProkaryotaSerratia Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno


Benzyl Formate

Mass-Spectra

Compound Details

Synonymous names
Benzyl formate
104-57-4
Benzyl methanoate
Formic acid, phenylmethyl ester
Phenylmethyl formate
Benzyl alcohol, formate
FORMIC ACID BENZYL ESTER
Formic acid, benzyl ester
Benzyl formiat
Benzylester kyseliny mravenci
FEMA No. 2145
Formic acid-benzyl ester
79GJF97O0Y
NSC-8049
MFCD00014128
Ameisensaeurebenzylester
Carbobenzoxy Group
NSC 8049
EINECS 203-214-4
Benzylester kyseliny mravenci [Czech]
BRN 2041319
UNII-79GJF97O0Y
AI3-02951
(phenylmethyl) methanoate
carbanic acid benzyl ester
SCHEMBL503
WLN: VHO1R
BENZYL FORMATE [MI]
BENZYL FORMATE [FCC]
4-06-00-02262 (Beilstein Handbook Reference)
BENZYL FORMATE [FHFI]
CHEBI:3057
DTXSID5059298
FEMA 2145
formic acid (phenylmethyl) ester
NSC8049
Benzyl formate, analytical standard
Benzyl formate, natural, 97%, FG
Benzyl formate, >=95%, FCC, FG
AKOS015964923
DB04569
DS-6364
MCULE-1298671349
BZO
SY050090
CS-0128265
F0050
NS00012002
C05613
D70183
A801004
Q4083784
(S)-(-)-AMINO-2-(1-METHOXY-1-METHYLETHYL)PYRROLIDINE
InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H
Formic acid, benzyl ester (6CI,7CI,8CI); Benzyl alcohol, formate; Benzyl formate; Benzyl methanoate; NSC 8049
Microorganism:

Yes

IUPAC namebenzyl formate
SMILESC1=CC=C(C=C1)COC=O
InchiInChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
FormulaC8H8O2
PubChem ID7708
Molweight136.15
LogP1.6
Atoms10
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids esters aromatic compounds
CHEBI-ID3057
Supernatural-IDSN0383838

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium Intracellulareclinical isolate,sputum,AIDS patientMellors et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Intracellulare7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno


Methyl 2-methylhexanoate

Compound Details

Synonymous names
Methyl 2-methylhexanoate
2177-81-3
Methyl2-methylhexanoate
2-Methylhexanoic acid, methyl ester
Hexanoic acid, 2-methyl, methyl ester
methyl alpha-methylhexanoate
SCHEMBL2779851
DTXSID30334183
CHEBI:167364
AKOS006280246
F94564
Microorganism:

Yes

IUPAC namemethyl 2-methylhexanoate
SMILESCCCCC(C)C(=O)OC
InchiInChI=1S/C8H16O2/c1-4-5-6-7(2)8(9)10-3/h7H,4-6H2,1-3H3
FormulaC8H16O2
PubChem ID519892
Molweight144.21
LogP2.6
Atoms10
Bonds5
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID167364

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium Aviumclinical isolate,blood,AIDS patientMellors et al. 2017
ProkaryotaMycobacterium Bovisclinical isolate,abscess,bladder cancerMellors et al. 2017
ProkaryotaMycobacterium Xenopiclinical isolate,sputum,AIDS patientMellors et al. 2017
ProkaryotaMycobacterium Intracellulareclinical isolate,sputum,AIDS patientMellors et al. 2017
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Avium7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaMycobacterium Bovis7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaMycobacterium Xenopi7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaMycobacterium Intracellulare7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno