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Species: Mycobacterium tuberculosis

1-methoxy-2-phenylbenzene

Mass-Spectra

Compound Details

Synonymous names
NLWCWEGVNJVLAX-UHFFFAOYSA-
NLWCWEGVNJVLAX-UHFFFAOYSA-N
o-Methoxybiphenyl
o-Phenylanisole
Methyl diphenyl ether
2-Methoxybiphenyl
o-METHOXY DIPHENYL
2-phenylanisol
2-Phenylanisole
AC1L1NEP
2-Methoxy-biphenylate
2-Hydroxybiphenyl methyl ether
o-Phenyl anisole
2-METHOXY BIPHENYL
2-Phenyl-anisol
ACMC-1CR1Y
1-methoxy-2-phenylbenzene
2-methoxy-1-phenylbenzene
6109AF
NSC2148
CTK1A2327
M1713
methoxy-1,1'-biphenyl
Biphenyl-2-yl methyl ether
SCHEMBL294721
ACT07823
Anisole, o-phenyl-
1-methoxy-2-phenyl-benzene
DTXSID6052584
OR022092
CHEMBL3813993
WLN: 1OR BR
NSC 2148
NSC-2148
AK310744
OR145906
OR145905
OR145904
ZINC1577178
EBD3321288
SCHEMBL12015268
AC-12225
AN-24099
ANW-38294
CC-11223
LS-20219
CJ-25020
FCH1114362
KB-68939
2-Methoxy-1,1'-biphenyl
ZINC01577178
MFCD00008367
C-31404
AI3-00236
TC-127039
ST50406419
AKOS015960814
1,1'-Biphenyl, methoxy-
BRN 2045749
ACM292625979
86-26-0
2-Methoxy-1,1'-biphenyl #
3B1-008603
1,1'-Biphenyl, 2-methoxy-
EINECS 201-659-9
26445-85-2
292625-97-9
4-06-00-04580 (Beilstein Handbook Reference)
InChI=1/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
IUPAC name1-methoxy-2-phenylbenzene
SMILESCOC1=CC=CC=C1C2=CC=CC=C2
InchiInChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
FormulaC13H12O
PubChem ID6835
Molweight184.238
LogP3.46
Atoms26
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids Ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al., 2008
BacteriaStigmatella Aurantiaca DW4/3-1n/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Dickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaStigmatella Aurantiaca DW4/3-1Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS


Methyl 4-methoxybenzoate

Mass-Spectra

Compound Details

Synonymous names
DDIZAANNODHTRB-UHFFFAOYSA-N
methyl4-methoxybenzoate
Methyl p-methoxybenzoate
Methyl anisate
METHYL 4-METHOXYBENZOATE
4-methoxy methylbenzoate
METHYL PARA-ANISATE
Methyl p-anisate
methyl P-methoxy benzoate
Methyl-p-anisate
Methyl-p-Methoxy Benzoate
p-Methoxybenzoic acid methyl ester
ANISIC ACID METHYL ESTER
4-Methoxybenzoic acid methyl
4-(Methoxycarbonyl)anisole
Methyl 4-Anisate
AC1L1R4M
Methyl ester of p-Methoxybenzoic acid
4-Methoxybenzoic acid methyl ester
p-Anisic acid methyl ester
KSC119E6R
NSC7324
ACMC-209ajc
ZINC87933
4-methoxy-benzoic acid methyl ester
SCHEMBL231243
AS02499
ARONIS011593
RP22885
p-Anisic acid, methyl ester
2MFL7873W9
FEMA 2679
bmse010016
AN-9346
NSC 7324
ZB003141
DTXSID7047645
NSC-7324
OR011231
OR209324
SY003911
STK041805
AC-7084
CHEMBL1762668
SBB058204
LS-2900
M-5922
CHEBI:86903
UNII-2MFL7873W9
WLN: 1OVR DO1
SC-24120
KB-54413
AJ-10791
BR-46595
ST2413419
AK-46595
CJ-00703
Methyl p-anisate, 99%
DSSTox_GSID_47645
ANW-17926
DSSTox_CID_27645
RARECHEM AL BF 0083
MFCD00008437
ZINC00087933
BDBM50340087
DSSTox_RID_82472
TR-003554
DB-012814
AM20050128
RTR-003554
ST45048310
AI3-00229
AKOS000501135
I01-8152
W-108443
BRN 2208571
Benzoic acid, p-methoxy-, methyl ester
FT-0628647
FEMA No. 2679
LABOTEST-BB LT00782008
Tox21_302682
Methyl p-anisate, >=99%, FG
F1335-0002
Benzoic acid, 4-methoxy-, methyl ester
121-98-2
MCULE-7764530900
Methyl p-anisate, >=99% (capillary GC)
NCGC00256751-01
CAS-121-98-2
EINECS 204-513-2
MolPort-000-690-489
AQ-917/40232598
InChI=1/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H
IUPAC namemethyl 4-methoxybenzoate
SMILESCOC1=CC=C(C=C1)C(=O)OC
InchiInChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
FormulaC9H10O3
PubChem ID8499
Molweight166.176
LogP1.82
Atoms22
Bonds22
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Esters Ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Schulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Dickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
BacteriaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al., 2008
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiLentinellus CochleatusRapior et al. 2002
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces CrocatusLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaChondromyces Crocatus Cm C2Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaChondromyces Crocatus Cm C5Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
FungiPiptoporus BetulinusnaGC/MSNo
FungiTrametes SuaveolensnaGC/MSNo
FungiLentinellus Cochleatushydro-destillation, solvent extraction, GC-MSno


Methyl Pyridine-3-carboxylate

Mass-Spectra

Compound Details

Synonymous names
Methylnicotinate
3-Carbomethoxypyridine
METHYL NICOTINATE
Methyl-nicotinate
Nicometh
YNBADRVTZLEFNH-UHFFFAOYSA-N
Nikomet
3PyrCOOMe
Methyl 3-pyridinecarboxylate
niconacid methyl ester
Methyl nicotinate, analytical standard
Nicotinic acid methyl
pellagra preventive factor methyl ester
Heat spray
m-(Methoxycarbonyl)pyridine
niacin methyl ester
Nicotinic acid methyl ester
AC1Q5ZBZ
methyl pyridine-3-carboxylate
3-(Methoxycarbonyl)pyridine
7B1AVU9DJN
3-(Carbomethoxy)pyridine
AC1L1O4J
ACMC-20aioj
Nicotinic acid, methyl ester
UNII-7B1AVU9DJN
3-Picolinic acid methyl ester
3-Picolinic acid methyl ester;Methyl nicotinate
3-Pyridinecarboxylic acid, methyl ester
KSC274Q6R
Methyl nicotinate (USAN)
pyridine-3-carboxylic acid methyl ester
ZINC1706
FC1289
PubChem11724
SCHEMBL24566
Methyl nicotinate, 99%
Methyl nicotinate, European Pharmacopoeia (EP) Reference Standard
N0086
CHEMBL379845
CM10959
LS20584
Methyl ester of pyridine-3-carboxylic acid
NSC13126
3-Picolinic acid methyl ester
D04991
HMS1775A18
BBL012574
CS-D1355
DTXSID7044471
GS-3032
HE030325
HE417717
Heat spray (TN)
NSC403799
SBB040924
STK803258
M-5948
WLN: T6NJ CVO1
AB0007776
AB1000383
AC-22482
AJ-08072
AK-47410
AN-24267
ANW-75137
BR-47410
DSSTox_GSID_44471
LS-96585
NSC 13126
NSC-13126
SC-18077
ST2413502
TL8005930
BB_SC-6260
CHEBI:134761
DSSTox_CID_24471
DSSTox_RID_80253
Methyl nicotinate, >=99%, FG
MFCD00006388
rarechem al bf 0185
ZINC00001706
AI3-19241
AM20061626
DB-031973
KB-236868
NSC-403799
ST45174806
TR-032937
AKOS000119439
Q-201381
BRN 0113951
FEMA No. 3709
93-60-7
Tox21_111702
Tox21_302038
CAS-93-60-7
MCULE-2161067131
NCGC00159479-02
NCGC00159479-03
NCGC00159479-05
NCGC00255708-01
EINECS 202-261-8
SR-01000944497
Tox21_111702_1
123574-61-8
MolPort-000-872-088
AC-907/25014170
SR-01000944497-1
Methyl nicotinate, puriss., >=99.0% (GC)
5-22-02-00059 (Beilstein Handbook Reference)
InChI=1/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H
IUPAC namemethyl pyridine-3-carboxylate
SMILESCOC(=O)C1=CN=CC=C1
InchiInChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
FormulaC7H7NO2
PubChem ID7151
Molweight137.138
LogP0.76
Atoms17
Bonds17
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationEsters pyridines nitrogen compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS


Methyl 2-phenylacetate

Mass-Spectra

Compound Details

Synonymous names
Methyl benzeneethanoate
Methyl benzeneacetate
Methyl phenylethanoate
METHYL PHENYLACETATE
CRZQGDNQQAALAY-UHFFFAOYSA-N
Phenylacetic acid methyl
Methyl benzene acetate
Methyl phenylacetate, analytical standard
Methyl alpha-toluate
methyl phenyl acetate
Phenylacetic Acid Methyl Ester
alpha-phenylacetic acid methyl ester
AC1Q5ZUJ
Methyl 2-phenylacetate
benzene acetic acid methyl ester
Benzeneacetic acid, methyl ester
phenyl acetic acid methyl ester
Phenyl-acetic acid methyl ester
Phenylacetic acid, methyl ester
AC1L1P1D
Methyl 2-phenyl acetate
2-Phenylacetic acid methyl ester
SCHEMBL4675
Methyl alpha-toluate; Phenylacetic acid methyl ester
KSC175C1T
NSC9405
Methyl .alpha.-toluate
CTK0H5119
D4PDC41X96
P0125
EBD50083
WLN: 1OV1R
RP17360
ZINC388061
UNII-D4PDC41X96
BBL010506
DTXSID1044352
NSC-9405
NSC401667
OR034300
AK163377
SBB058223
STL146152
ZB011258
LS-2954
CHEMBL3189123
ACMC-2097v7
CJ-03094
SC-26761
ANW-14465
DSSTox_GSID_44352
AN-24576
AB1011175
KB-54814
MFCD00008453
DSSTox_CID_24352
ZINC00388061
BB_SC-7169
DSSTox_RID_80161
AI3-01971
RTR-000377
Acetic acid, phenyl-, methyl ester
NSC-401667
NSC 401667
ST24047740
ST50824226
TR-000377
Methyl phenylacetate, ReagentPlus(R), >=99%
I14-7331
AKOS000119976
FT-0653159
TRA-0184135
FEMA No. 2733
Tox21_300792
Methyl phenylacetate, >=98%, FCC, FG
101-41-7
Methyl phenylacetate, Vetec(TM) reagent grade, 98%
MCULE-9593207528
NCGC00254696-01
NCGC00248170-01
EINECS 202-940-9
CAS-101-41-7
EC 202-940-9
MolPort-001-788-281
InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H
IUPAC namemethyl 2-phenylacetate
SMILESCOC(=O)CC1=CC=CC=C1
InchiInChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
FormulaC9H10O2
PubChem ID7559
Molweight150.177
LogP1.76
Atoms21
Bonds21
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids esters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al., 2008
Fungi Antrodia CamphorataChiang et al. 2013
Fungi Antrodia CinnamomeaChen et al. 2007
FungiGleophyllum OdoratumnaSachsenwald near HamburgRösecke et al., 2000
Fungi Gloeophyllum OdoratumKahlos et al. 1994
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
Fungi Antrodia Camphoratano
Fungi Antrodia Cinnamomeano
FungiGleophyllum OdoratumnaGC/MSNo
Fungi Gloeophyllum Odoratumno
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS