MassBank Record: JP002534



 CINNAMYL ACETATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002534
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$NAME: CINNAMYL ACETATE CH$NAME: 3-PHENYLALLYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12O2 CH$EXACT_MASS: 176.08373 CH$SMILES: CC(=O)OCC=Cc(c1)cccc1 CH$IUPAC: InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kf-9800000000-d9811f6026ea45b0908f PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 15 6.59 66 27 3.93 39 28 3.62 36 29 1.31 13 38 1.18 12 39 8.84 88 43 99.99 999 44 2.3 23 50 3.99 40 51 10.54 105 52 2.49 25 55 3.07 31 62 1.7 17 63 5.48 55 64 1.02 10 65 4.54 45 74 1.55 16 75 1.81 18 76 1.94 19 77 13.96 140 78 8.29 83 79 5.46 55 89 3.33 33 91 12.78 128 92 21.04 210 93 1.65 17 102 3.28 33 103 6.93 69 104 2.57 26 105 26.24 262 106 3.07 31 114 1.52 15 115 45.68 457 116 27.42 274 117 24.65 247 118 2.6 26 131 2.1 21 133 21.59 216 134 31.17 312 135 2.81 28 176 24.04 240 177 3.1 31 //