MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007352
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007352
RECORD_TITLE: BENZYL 3-PHENYL-2-PROPENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BENZYL 3-PHENYL-2-PROPENOATE
CH$NAME: CINNAMIC ACID BENZYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14O2
CH$EXACT_MASS: 238.09938
CH$SMILES: O=C(C=Cc(c2)cccc2)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
CH$LINK: CAS
103-41-3
CH$LINK: INCHIKEY
NGHOLYJTSCBCGC-VAWYXSNFSA-N
CH$LINK: COMPTOX
DTXSID00880905
AC$INSTRUMENT: ESCO EMD-05A
AC$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$SPLASH: splash10-0f6x-9600000000-c2f6e1fccb7fd1daee10
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
39 2.37 24
40 5.59 56
51 16.41 164
52 19.07 191
53 10.67 107
62 2.56 26
63 8.34 83
64 3.51 35
65 15.27 153
66 2.27 23
74 4.88 49
75 3.98 40
76 10.53 105
77 51.7 517
78 11.05 111
79 6.78 68
89 8.11 81
90 6.38 64
91 99.99 999
92 6.49 65
101 1.56 16
102 14.89 149
103 45.68 457
104 11.62 116
105 6.35 64
107 4.45 45
115 7.73 77
116 2.98 30
131 58.68 587
132 6.92 69
147 5.55 56
178 3.03 30
179 1.8 18
192 25.18 252
193 22.53 225
194 3.79 38
220 2.51 25
238 16.79 168
239 2.98 30
//
system version 2.2.8-SNAPSHOT