MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005920
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005920
RECORD_TITLE: CINNAMYL ACETATE; 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$NAME: CINNAMYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O2
CH$EXACT_MASS: 176.08373
CH$SMILES: CC(=O)OCC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
CH$LINK: INCHIKEY
WJSDHUCWMSHDCR-VMPITWQZSA-N
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-00l6-4900000000-3831c94e4a10aa444a81
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
43 99.99 999
44 2.12 21
55 2.12 21
77 2.83 28
78 6.66 67
79 3.82 38
91 10.91 109
92 32.72 327
93 2.69 27
103 2.83 28
104 1.84 18
105 34.56 346
106 4.39 44
114 1.42 14
115 43.2 432
116 41.78 418
117 30.45 305
118 3.4 34
131 1.7 17
133 41.36 414
134 59.07 591
135 6.37 64
147 1.42 14
148 1.56 16
149 1.13 11
176 52.27 523
177 6.8 68
//