MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006827
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006827
RECORD_TITLE: ETHYL 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$NAME: ETHYL CROTONATE
CH$NAME: ETHYL TRANS-2-BUTENOATE
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 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: splash10-014i-9000000000-dbf7b61c163e848bbaca
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15 2.14 21
26 2.1 21
27 10.24 102
29 11.86 119
37 1.16 12
38 2.92 29
39 28.16 282
40 1.62 16
41 29.8 298
42 3.16 32
43 1.76 18
45 3.61 36
55 1.04 10
68 6.76 68
69 99.99 999
70 4.56 46
71 1.77 18
86 5.62 56
87 1.58 16
99 29.57 296
100 1.48 15
114 1.55 16
//