MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002230
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002230
RECORD_TITLE: PARA-METHYLCINNAMIC 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$NAME: PARA-METHYLCINNAMIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O2
CH$EXACT_MASS: 176.08373
CH$SMILES: COC(=O)C=Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C11H12O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-8H,1-2H3/b8-7+
CH$LINK: INCHIKEY
WLJBRXRCJNSDHT-BQYQJAHWSA-N
AC$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: splash10-014j-2900000000-93b0b51e717b0cd721d6
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
50 7.2 72
51 6.4 64
52 4.8 48
57 0.16 2
58 7.2 72
59 13.7 137
61 2.4 24
62 0.4 4
63 4.8 48
65 11.2 112
72 2.4 24
73 0.16 2
76 4 40
77 4 40
87 3.2 32
89 0.8 8
90 2.4 24
91 19.3 193
101 1.6 16
102 0.4 4
103 3.2 32
113 2.4 24
115 46.7 467
116 1.77 18
117 46.7 467
118 10.4 104
127 2.4 24
130 0.24 2
131 4 40
132 2.4 24
135 3.2 32
140 0.24 2
144 4 40
145 99.99 999
146 12.9 129
147 0.16 2
149 1.6 16
158 2.4 24
161 8.8 88
175 1.37 14
176 54.8 548
177 7.2 72
178 2.4 24
//
system version 2.2.6-SNAPSHOT