MassBank Record: JP001315



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

ACCESSION: JP001315
RECORD_TITLE: ACETIC ACID BENZYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ACETIC ACID BENZYL ESTER CH$NAME: BENZYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: CC(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
AC$INSTRUMENT: HITACHI RMU-7M 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: splash10-052f-9500000000-cff0c394a1b0b3cc9207 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 15 4.51 45 27 2.08 21 28 1.71 17 29 1 10 38 1.81 18 39 9.12 91 41 2.08 21 43 50.18 502 44 1.81 18 455 2.08 21 50 4.51 45 51 11.82 118 52 3.07 31 62 1.81 18 63 5.6 56 64 1.81 18 65 14.44 144 77 14.8 148 78 4.15 42 79 28.25 283 80 2.71 27 89 13.36 134 90 42.33 423 91 55.32 553 92 4.33 43 105 3.25 33 107 17.42 174 108 99.99 999 109 7.85 79 150 28.25 283 151 2.71 27 //