Results for:
Species: Antrodia camphorata

Signature

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
Microorganism:	Yes
IUPAC name	methyl 2-phenylacetate
SMILES	COC(=O)CC1=CC=CC=C1
Inchi	InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
Formula	C9H10O2
PubChem ID	7559
Molweight	150.177
LogP	1.76
Atoms	21
Bonds	21
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	benzenoids esters

mVOC Specific Details

MS-Links	MS-MS Spectrum 121204 MS-MS Spectrum 48157 MS-MS Spectrum 121205 MS-MS Spectrum 48158 MS-MS Spectrum 48156 MS-MS Spectrum 121203
1D-NMR-Links	1D NMR Spectrum 4020 1D NMR Spectrum 3763

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Mycobacterium Tuberculosis n/a Respiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand) Syhre et al., 2008 Fungi Antrodia Camphorata Chiang et al. 2013 Fungi Antrodia Cinnamomea Chen et al. 2007 Fungi Gleophyllum Odoratum na Sachsenwald near Hamburg Rösecke et al., 2000 Fungi Gloeophyllum Odoratum Kahlos et al. 1994 Bacteria Salinispora Tropica CNB-440 na marine sediment Groenhagen et al., 2016

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Mycobacterium Tuberculosis Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MP Solid phase micro-extraction (SPME), GC/MS-MS Fungi Antrodia Camphorata no Fungi Antrodia Cinnamomea no Fungi Gleophyllum Odoratum na GC/MS No Fungi Gloeophyllum Odoratum no Bacteria Salinispora Tropica CNB-440 seawater-based A1 GC/MS

2,4,5-trimethoxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names	Asaronaldehyde Asarylaldehyde Azarylaldehyde Asaraldehyde Asarylaldehyde, analytical standard IAJBQAYHSQIQRE-UHFFFAOYSA-N Asaraldehyde-Supplied by Selleck Chemicals Gazarin Asaraldehyde - Asaronaldehyde Acrolein(Propenal) 2,5-Trimethoxybenzaldehyde 3,6-Trimethoxybenzaldehyde AC1L2GG7 ACMC-1ADV9 NDU8J2Q00D PubChem8263 AC1Q490G KSC236C5N 2,4,5-TRIMETHOXYBENZALDEHYDE 3,4,6-Trimethoxybenzaldehyde UNII-NDU8J2Q00D CTK1D6156 S2531_Selleck SPECTRUM200208 AS02818 LS10199 NSC89299 RP25437 SCHEMBL333451 A26620 BCPP000436 CCRIS 1296 HMS1922P08 HMS2268O16 HMS3656M12 HSDB 4502 ZINC336939 2,4,5-Trimethoxy benzaldehyde 2,4,5-trimethoxy-benzaldehyde AC-4247 BBL011033 CHEMBL1164301 CS-6035 DTXSID1022217 LS-1267 OR003780 OR147945 OR220925 PS-6109 SBB040214 ST093686 STK802187 TL806230 ZB010841 DSSTox_CID_2217 K-8969 NCI-C61632 Spectrum_000818 4CA-0107 AB1004251 AJ-19817 AK-81441 AN-12166 ANW-30143 BCP9000230 BSPBio_001639 CCG-38657 DSSTox_GSID_22217 KB-85563 KBioGR_002238 KBioSS_001298 NSC 89299 NSC-89299 PARAGOS 530447 SC-04555 ST2415708 TRA0030137 BB_SC-1446 CHEBI:113543 DSSTox_RID_76523 MFCD00003312 SPBio_000571 Spectrum2_000386 Spectrum3_000170 Spectrum4_001759 Spectrum5_000618 ZINC00336939 AI3-36671 DB-051236 HY-100580 RTR-017129 TIMTEC-BB SBB040214 TR-017129 AKOS000119399 I01-1219 KBio2_001298 KBio2_003866 KBio2_006434 KBio3_001139 Q-100162 Asaraldehyde, Asaronaldehyde, Asarylaldehyde, NSC 89299 BRN 1951403 FT-0609813 MLS002473312 MLS002695891 MLS006011864 SMR000112148 LABOTEST-BB LT00926884 LABOTEST-BB LT03330935 LABOTEST-BB LT03381259 2,4,5-Trimethoxybenzaldehyde, 98% BCP0726000304 Benzaldehyde, 2,4,5-trimethoxy- Tox21_400070 F2190-0582 AKOS BBS-00003175 4460-86-0 MCULE-7174618286 NCGC00091253-01 NCGC00091253-02 NCGC00091253-03 NCGC00091253-04 NCGC00091253-05 NCGC00091253-06 NCGC00091253-07 EINECS 224-713-3 14374-62-0 SDCCGMLS-0066425.P001 CAS-4460-86-0 MolPort-000-871-193 AP-065/41884113 2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98% 4-08-00-02715 (Beilstein Handbook Reference) Asarylaldehyde, NSC 89299;4460-86-0 BRD-K88219015-001-02-5 InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H
Microorganism:	Yes
IUPAC name	2,4,5-trimethoxybenzaldehyde
SMILES	COC1=CC(=C(C=C1C=O)OC)OC
Inchi	InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
Formula	C10H12O4
PubChem ID	20525
Molweight	196.202
LogP	1.21
Atoms	26
Bonds	26
H-bond Acceptor	4
H-bond Donor	0
Chemical Classification	benzenoids aldehydes ethers

mVOC Specific Details

Vapor Pressure	Pressure Reference 1.13X10-3 mm Hg at 25 deg C (est) US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Feb 19, 2007: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links	MS-MS Spectrum 58743 MS-MS Spectrum 230619 MS-MS Spectrum 58744 MS-MS Spectrum 114746 MS-MS Spectrum 230618 MS-MS Spectrum 58745 MS-MS Spectrum 114745 MS-MS Spectrum 114744
1D-NMR-Links	1D NMR Spectrum 3870 1D NMR Spectrum 4139

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Fungi Antrodia Camphorata Chiang et al. 2013 Fungi Antrodia Cinnamomea Chen et al. 2007
Method	Kingdom Species Growth Medium Applied Method Verification Fungi Antrodia Camphorata no Fungi Antrodia Cinnamomea no

2-butyl-2H-furan-5-one

Compound Details

Synonymous names	KGJZBUMJSZTLTA-UHFFFAOYSA-N AC1Q6ATH AC1L3TEJ ACMC-20mct5 CTK4G4988 ACMC-20mu67 SCHEMBL9993726 HE030821 5-Butylfuran-2(5H)-one 5-butyl-5H-furan-2-one 5-butyl-2(5H)-furanone 2-butyl-2H-furan-5-one 2(5H)-Furanone,5-butyl- EINECS 250-133-5 EINECS 274-596-8 70404-04-5 30336-14-2 131616-48-3 110013-17-7 (1)-5-Butylfuran-2(5H)-one
Microorganism:	Yes
IUPAC name	2-butyl-2H-furan-5-one
SMILES	CCCCC1C=CC(=O)O1
Inchi	InChI=1S/C8H12O2/c1-2-3-4-7-5-6-8(9)10-7/h5-7H,2-4H2,1H3
Formula	C8H12O2
PubChem ID	121779
Molweight	140.182
LogP	2.36
Atoms	22
Bonds	22
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	lactones heterocylic compounds alkenes esters

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Fungi Antrodia Camphorata Chen et al.2007
Method	Kingdom Species Growth Medium Applied Method Verification Fungi Antrodia Camphorata no

2-(2-methoxyphenyl)propanoate

Compound Details

Synonymous names	NUSLQDOXLCYVTQ-UHFFFAOYSA-M methyl(2-methoxyphenyl)acetate
Microorganism:	Yes
IUPAC name	2-(2-methoxyphenyl)propanoate
SMILES	CC(C1=CC=CC=C1OC)C(=O)[O-]
Inchi	InChI=1S/C10H12O3/c1-7(10(11)12)8-5-3-4-6-9(8)13-2/h3-7H,1-2H3,(H,11,12)/p-1
Formula	C10H11O3-
PubChem ID	21643366
Molweight	179.196
LogP	2
Atoms	24
Bonds	24
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	benzenoids ethers esters

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Fungi Antrodia Camphorata Chiang et al. 2014 Fungi Antrodia Cinnamomea Chen et al. 2008
Method	Kingdom Species Growth Medium Applied Method Verification Fungi Antrodia Camphorata no Fungi Antrodia Cinnamomea no