MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007336
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007336
RECORD_TITLE: CROTONIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CROTONIC ACID ETHYL ESTER
CH$NAME: 2-BUTENOIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O2
CH$EXACT_MASS: 114.06808
CH$SMILES: CC=CC(=O)OCC
CH$IUPAC: InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
CH$LINK: CAS
10544-63-5
CH$LINK: INCHIKEY
ZFDIRQKJPRINOQ-HWKANZROSA-N
CH$LINK: COMPTOX
DTXSID5057591
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-014i-9000000000-67dbd4fded74f079f238
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 2.36 24
26 1.6 16
27 6.95 70
28 2.12 21
29 11.9 119
38 2.13 21
39 18.18 182
40 3.53 35
41 30.55 306
42 2.77 28
43 1.6 16
45 4.02 40
68 4.46 45
69 99.99 999
70 5.31 53
71 1.3 13
86 5.92 59
87 1.85 19
99 26.34 263
100 1.41 14
114 3.07 31
//