MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006831
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006831
RECORD_TITLE: ISOAMYL CROTONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ISOAMYL CROTONATE
CH$NAME: 3-METHYLBUTYL TRANS-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CC=CC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4+
CH$LINK: INCHIKEY
JAVOYFHBJFLMRQ-SNAWJCMRSA-N
CH$LINK: COMPTOX
DTXSID20888408
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01bc-9000000000-c3827e7d2b050f186e91
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 9.27 93
29 6.34 63
38 1.4 14
39 26.21 262
41 38.6 386
42 10.46 105
43 14.39 144
45 1.34 13
53 1.22 12
55 22.03 220
56 1.61 16
57 1.02 10
68 2.24 22
69 99.99 999
70 58.22 582
71 3.52 35
86 1 10
87 21.72 217
99 1.42 14
113 1.3 13
//