MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005399
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005399
RECORD_TITLE: CROTONIC ACID ETHYL ESTER; 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$NAME: CROTONIC ACID ETHYL ESTER
CH$NAME: TRANS-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: INCHIKEY
ZFDIRQKJPRINOQ-HWKANZROSA-N
CH$LINK: COMPTOX
DTXSID5057591
AC$INSTRUMENT: HITACHI RMU-7M
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-9000000000-3459609df67fdefbdd29
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 4.3 43
26 2.72 27
27 10.35 104
28 13.97 140
29 17.97 180
37 1.58 16
38 3.43 34
39 23.69 237
40 4.52 45
41 34.86 349
42 4.14 41
43 2.67 27
44 2.12 21
45 5.56 56
55 1.09 11
68 4.52 45
69 99.99 999
70 4.68 47
71 1.74 17
77 1.03 10
86 5.07 51
87 1.36 14
94 3.05 31
99 18.95 190
100 1.03 10
114 1.09 11
//