MassBank Record: JP005977



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

ACCESSION: JP005977
RECORD_TITLE: ORTHO-TOLYL ACETATE; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-TOLYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: CC(=O)Oc(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3 CH$LINK: INCHIKEY AMZORBZSQRUXNC-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0a4i-2900000000-cf28f71818cfe2171282 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 77 8.7 87 78 1.54 15 79 21.46 215 80 8.02 80 89 8.35 84 90 6.56 66 91 5.4 54 107 99.99 999 108 75.64 756 109 17.26 173 110 1.13 11 150 9.02 90 151 1.86 19 //