MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005394
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005394
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0gx0-1900000000-c3cda6f91e8c845eb5d7
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
40 1.5 15
41 4.4 44
51 7.8 78
52 2.18 22
53 3.1 31
54 1.3 13
59 1.1 11
63 0.14 1
64 3.6 36
65 1.2 12
74 2.6 26
75 0.29 3
76 4.3 43
77 24.7 247
78 3 30
91 0.25 3
102 11.7 117
103 48.8 488
104 6.6 66
105 0.11 1
115 1.1 11
116 1.3 13
117 3.6 36
118 0.11 1
121 1.7 17
131 99.99 999
132 10.4 104
133 0.12 1
134 1.2 12
144 2.1 21
147 1.5 15
160 0.38 4
161 28.1 281
162 66.8 668
163 9.5 95
//