MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002177
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002177
RECORD_TITLE: TRANS-CINNAMIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: TRANS-CINNAMIC ACID METHYL ESTER
CH$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$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0w29-4900000000-ff0f82861ca2b55e4c51
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
37 1.3 13
38 2.4 24
39 5.4 54
49 0.11 1
50 12 120
51 36 360
52 5.6 56
53 0.09 1
61 0.9 9
62 2.9 29
63 5.6 56
65 0.24 2
75 6.5 65
76 9.2 92
77 55.1 551
78 0.56 6
79 1.5 15
85 1.1 11
87 0.9 9
89 0.2 2
90 1.3 13
91 5.8 58
92 1.8 18
101 0.27 3
102 19.7 197
103 99.99 999
104 13.1 131
105 0.24 2
106 0.9 9
107 1.3 13
115 0.9 9
116 0.22 2
117 5.4 54
118 1.3 13
119 0.9 9
121 0.15 2
130 4.9 49
131 48.2 482
132 15.6 156
133 0.24 2
134 2 20
144 2.9 29
145 1.1 11
146 0.11 1
147 2.9 29
161 36.7 367
162 73.2 732
163 0.83 8
164 0.9 9
//