MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009844
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009844
RECORD_TITLE: METHYL 2-CHLORO-3-PHENYLACRYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 2-CHLORO-3-PHENYLACRYLATE
CH$NAME: METHYL ALPHA-CHLOROCINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9ClO2
CH$EXACT_MASS: 196.02911
CH$SMILES: COC(=O)C(Cl)=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H9ClO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
CH$LINK: INCHIKEY
OHXMZPBSQGEXEV-CLFYSBASSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0imi-3900000000-eaef0d721eafde323990
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
27 1.2 12
28 37.4 374
29 2.3 23
31 0.14 1
39 14.3 143
43 1.6 16
44 6.2 62
45 1.63 16
50 14.2 142
51 33.2 332
59 5.7 57
71 1.44 14
72 5.6 56
73 8.8 88
75 22.2 222
77 0.94 9
87 2.7 27
89 7.5 75
91 9.7 97
101 3.11 31
102 64.9 649
103 5.8 58
115 14.5 145
117 0.19 2
121 24.2 242
129 40.3 403
131 15.4 154
133 0.11 1
137 38.4 384
139 14.9 149
160 19 190
161 99.99 999
162 19 190
164 3.1 31
165 34.1 341
196 9.42 94
197 14.9 149
198 35.7 357
//
system version 2.2.8-SNAPSHOT