MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005395
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005395
RECORD_TITLE: METHYL CINNAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: METHYL CINNAMATE
CH$NAME: 3-PHENYL-2-PROPENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O2
CH$EXACT_MASS: 162.06808
CH$SMILES: COC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
CH$LINK: INCHIKEY
CCRCUPLGCSFEDV-BQYQJAHWSA-N
CH$LINK: COMPTOX
DTXSID5044314
AC$INSTRUMENT: SHIMADZU QP-1000
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: splash10-001i-0900000000-7838d88e81e54099d12c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
47 1.4 14
77 1 10
102 4.5 45
103 2 20
104 4.2 42
116 1.5 15
117 3.4 34
121 0.18 2
130 15.6 156
131 99.99 999
132 10.1 101
133 0.18 2
144 2.3 23
160 3.2 32
161 35.2 352
162 8.76 88
163 9.5 95
//