MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006830
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006830
RECORD_TITLE: AMYL 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$NAME: AMYL CROTONATE
CH$NAME: PENTYL TRANS-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCCOC(=O)C=CC
CH$IUPAC: InChI=1S/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h4,7H,3,5-6,8H2,1-2H3/b7-4+
CH$LINK: INCHIKEY
PWYYERNADDIMJR-QPJJXVBHSA-N
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$SPLASH: splash10-014u-9000000000-cb18dd6645358b9f2fd7
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
26 1.01 10
27 10.17 102
29 9.55 96
38 1.36 14
39 23.82 238
40 1.55 16
41 38.13 381
42 15.68 157
43 10.4 104
55 12.34 123
68 2.19 22
69 99.99 999
70 17.48 175
71 1.34 13
87 64.55 646
88 2.45 25
99 1.03 10
//