MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008065
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008065
RECORD_TITLE: CROTONIC ACID METHYL 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$NAME: CROTONIC ACID METHYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9100000000-ee0056dcffd09f478795
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
29 1.62 16
39 10.48 105
40 2.16 22
41 39.52 395
42 2.27 23
59 3.89 39
68 3.02 30
69 99.99 999
70 4.54 45
85 22.89 229
86 0.97 10
100 23.87 239
101 1.51 15
//