Results for:
Species: Muscodor fengyangensis (ZJLQ374)

Signature

2-methylbutyl Acetate

Mass-Spectra

Compound Details

Synonymous names	Aceticacidmethylbutylester XHIUFYZDQBSEMF-UHFFFAOYSA-N XHIUFYZDQBSEMF-UHFFFAOYSA- 2-methylbutanol acetate Active amyl acetate 2-METHYLBUTYL ACETATE 2-Methybutyl acetate 2-Methylbutyl acetate, analytical standard 2-methyl butyl acetate Acetic acid 2-methylbutyl ester AC1L1Z39 Nat.d-2-Methylbutyl Acetate SCHEMBL309720 ACMC-209n3q 2-Methylbutyl acetate (natural) CHEMBL3188103 DTXSID2027254 LS-2911 OR020289 OR129998 2-Methyl-1-butyl acetate CHEBI:50585 DSSTox_CID_7254 ANW-34212 TL8004149 AN-22018 FCH1117799 DSSTox_GSID_27254 MFCD00040494 DSSTox_RID_78371 C-54417 TR-021470 RTR-021470 AKOS015902767 FEMA No. 3644 FT-0628830 I14-19357 Tox21_200883 624-41-9 2-Methylbutyl acetate, 99%, FG 1-Butanol, 2-methyl-, acetate NCGC00258437-01 NCGC00248864-01 2-Methylbutyl acetate, natural, >=95%, FG EINECS 210-843-8 CAS-624-41-9 1-Butanol, 2-methyl-,1-acetate 129829-14-7 MolPort-003-960-151 1-Butanol, 2-methyl-, 1-acetate InChI=1/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
IUPAC name	2-methylbutyl acetate
SMILES	CCC(C)COC(=O)C
Inchi	InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
Formula	C7H14O2
PubChem ID	12209
Molweight	130.187
LogP	1.61
Atoms	23
Bonds	22
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Esters

mVOC Specific Details

MS-Links	MS-MS Spectrum 9542 MS-MS Spectrum 16215 MS-MS Spectrum 9544 MS-MS Spectrum 9543 MS-MS Spectrum 16216 MS-MS Spectrum 16214
MS-Links	GC-MS Spectrum 3236
1D-NMR-Links	1D NMR Spectrum 4636 1D NMR Spectrum 4510

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Muscodor Fengyangensis (ZJLQ374) n/a Zhejiang Province of Southeast China Zhang et al., 2010 Bacteria Klebsiella Sp. n/a Schulz and Dickschat, 2007 Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 n/a Weise et al., 2012 Fungi Tuber Aestivum March et al., 2006

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Muscodor Fengyangensis (ZJLQ374) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). Bacteria Klebsiella Sp. n/a n/a Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 NBII Closed airflow-system/GC-MS and PTR-MS Fungi Tuber Aestivum Pressure balanced head-space sampling and GC/TOF-MS No

(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

Compound Details

Synonymous names	Valencene Valencen Valencene (natural) Valencene, 80% V0117 C17277 96H21P91IG CHEMBL3186909 Valencene, natural, >=65% OR020766 DTXSID8047052 AK542447 ZINC1734352 CHEBI:61700 (+)-Valencene UNII-96H21P91IG DSSTox_GSID_47052 CJ-29510 DSSTox_RID_82070 MFCD00075884 ZINC01734352 DSSTox_CID_27052 C-54644 (+)-Valencene, analytical standard NSC 148969 AKOS027460688 FEMA No. 3443 Tox21_302397 4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin Ambap4630-07-3 4630-07-3 NCGC00256249-01 EINECS 225-047-6 20479-02-1 CAS-4630-07-3 (+)-Valencene, technical, >=70% 4alpha,10alpha-Dimethyl-6beta-isopropyl-.DELTA.1,9-octalin ent-7betaH-eremophila-10(1),11-diene 4Betah,5alpha-eremophila-1(10),11-diene 4betaH,5alpha-Eremophila-1(10),11-diene (8CI) (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)- Naphthalene, 1,2,3,5,6,7,8,8A-octahydro-1,8A-dimethyl-7-(1-methylethenyl)-, (1R-(1alpha,7beta,8aalpha))- 1,2,3,5,6,7,8,8a-Octahydro-1,8A-dimethyl-7-(1-methylethenyl)naphthalene, (1R-(1alpha,7beta,8aalpha))- (3R,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene (1R-(1alpha,7beta,8alpha))-1,2,3,5,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene
IUPAC name	(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
SMILES	CC1CCC=C2C1(CC(CC2)C(=C)C)C
Inchi	InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
Formula	C15H24
PubChem ID	9855795
Molweight	204.357
LogP	4.52
Atoms	39
Bonds	40
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	terpenes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Muscodor Albus I-41. 3s n/a obtained from limbs of vine Atmosukarto et al., 2005 Fungi Muscodor Fengyangensis (ZJLQ024) n/a Zhejiang Province of Southeast China Zhang et al., 2010 Fungi Muscodor Fengyangensis (ZJLQ070) n/a Zhejiang Province of Southeast China Zhang et al., 2010 Fungi Muscodor Fengyangensis (ZJLQ151) n/a Zhejiang Province of Southeast China Zhang et al., 2010 Fungi Muscodor Fengyangensis (ZJLQ374) n/a Zhejiang Province of Southeast China Zhang et al., 2010 Fungi Penicillium Roqueforti (IBT 16404) n/a obtained fronm department of Biotechnology , Denmark Technical Universität at Copenhagen Jelen, 2003 Fungi Periconia Britannica na water damaged buildings, Belgium Polizzi et al., 2012 Fungi Trichoderma Viride n/a Mueller et al., 2013

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Muscodor Albus I-41. 3s Potato dextrose agar (PDA) SPME - GC - MS - culture 12 days old Fungi Muscodor Fengyangensis (ZJLQ024) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). Fungi Muscodor Fengyangensis (ZJLQ070) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). Fungi Muscodor Fengyangensis (ZJLQ151) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). Fungi Muscodor Fengyangensis (ZJLQ374) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). Fungi Penicillium Roqueforti (IBT 16404) wheat kernel medium incubated at 20°C for 14 days, isolation by SPME with different fibres Fungi Periconia Britannica malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar SPME-GC/MS No Fungi Trichoderma Viride Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS

1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene

Mass-Spectra

Compound Details

Synonymous names	ADIDQIZBYUABQK-UHFFFAOYSA-N AC1L31JW AC1Q29YD .alpha.-Guaiene CTK1G0068 OR280848 FT-0699683 1(5),11-Guaiadiene 3691-12-1 53863-54-0 1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)- 1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene 7-Isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-, [1S-(1.alpha.,4.alpha.,7.alpha.)]- Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-
IUPAC name	1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
SMILES	CC1CCC(CC2=C1CCC2C)C(=C)C
Inchi	InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3
Formula	C15H24
PubChem ID	107152
Molweight	204.357
LogP	4.46
Atoms	39
Bonds	40
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	terpenes

mVOC Specific Details

MS-Links

MS-MS Spectrum 168784 MS-MS Spectrum 102895 MS-MS Spectrum 102896 MS-MS Spectrum 102894 MS-MS Spectrum 168785 MS-MS Spectrum 168783

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Muscodor Fengyangensis (ZJLQ024) n/a Zhejiang Province of Southeast China Zhang et al., 2010 Fungi Muscodor Fengyangensis (ZJLQ070) n/a Zhejiang Province of Southeast China Zhang et al., 2010 Fungi Muscodor Fengyangensis (ZJLQ151) n/a Zhejiang Province of Southeast China Zhang et al., 2010 Fungi Muscodor Fengyangensis (ZJLQ374) n/a Zhejiang Province of Southeast China Zhang et al., 2010 Fungi Muscodor Fengyangensis (ZJLQ023) n/a Zhejiang Province of Southeast China Zhang et al., 2010 Fungi Muscodor Albus I-41. 3s n/a obtained from limbs of vine Atmosukarto et al., 2005

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Muscodor Fengyangensis (ZJLQ024) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). Fungi Muscodor Fengyangensis (ZJLQ070) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). Fungi Muscodor Fengyangensis (ZJLQ151) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). Fungi Muscodor Fengyangensis (ZJLQ374) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). Fungi Muscodor Fengyangensis (ZJLQ023) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). Fungi Muscodor Albus I-41. 3s Potato dextrose agar (PDA) SPME - GC - MS - culture 12 days old

4,4,8a-trimethyl-7,8-dimethylidene-1,2,3,4a,5,6-hexahydronaphthalene

Compound Details

Synonymous names	NLKPRKBDYOXHQZ-UHFFFAOYSA-N AC1LCZ36 1,1,4a-Trimethyl-5,6-dimethylenedecahydronaphthalene 4,4,8a-trimethyl-7,8-dimethylidene-1,2,3,4a,5,6-hexahydronaphthalene
IUPAC name	4,4,8a-trimethyl-7,8-dimethylidene-1,2,3,4a,5,6-hexahydronaphthalene
SMILES	CC1(CCCC2(C1CCC(=C)C2=C)C)C
Inchi	InChI=1S/C15H24/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h13H,1-2,6-10H2,3-5H3
Formula	C15H24
PubChem ID	609227
Molweight	204.357
LogP	4.43
Atoms	39
Bonds	40
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	terpenes

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Fungi Muscodor Fengyangensis (ZJLQ374) n/a Zhejiang Province of Southeast China Zhang et al., 2010
Method	Kingdom Species Growth Medium Applied Method Verification Fungi Muscodor Fengyangensis (ZJLQ374) potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).