MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005402
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005402
RECORD_TITLE: METHYL 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$NAME: METHYL CROTONATE
CH$NAME: 2-BUTENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O2
CH$EXACT_MASS: 100.05243
CH$SMILES: CC=CC(=O)OC
CH$IUPAC: InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
CH$LINK: INCHIKEY
MCVVUJPXSBQTRZ-ONEGZZNKSA-N
CH$LINK: COMPTOX
DTXSID10878813
AC$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-9000000000-051848b3008ab240a288
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
15 7.64 76
27 1.48 15
29 2.17 22
37 1.03 10
39 19.51 195
40 3.42 34
41 44.1 441
42 2.68 27
59 4.68 47
68 3.31 33
69 99.99 999
70 4.51 45
85 21.11 211
86 1.03 10
100 14.6 146
101 2.57 26
//