MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006153
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006153
RECORD_TITLE: ETHYL CINNAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL CINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O2
CH$EXACT_MASS: 176.08373
CH$SMILES: CCOC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
CH$LINK: INCHIKEY
KBEBGUQPQBELIU-CMDGGOBGSA-N
AC$INSTRUMENT: HITACHI M-80
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: splash10-0fai-2900000000-f6b654b23be26f729443
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
29 16.94 169
45 2.75 28
51 2.96 30
69 2.77 28
77 42.03 420
78 5.96 60
91 7.25 73
102 13.37 134
103 69.59 696
104 26.52 265
105 3.2 32
115 1.16 12
117 1.61 16
120 1.42 14
130 5.3 53
131 99.99 999
132 11.35 114
133 1.54 15
147 10.66 107
148 11.84 118
149 1.45 15
158 1.46 15
175 2.04 20
176 19.5 195
177 2.67 27
//