MassBank Record: JP001310



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

ACCESSION: JP001310
RECORD_TITLE: ACETIC ACID ORTHO-TOLYL 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$NAME: ACETIC ACID ORTHO-TOLYL ESTER CH$NAME: ORTHO-CRESOL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: CC(=O)Oc(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
AC$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: splash10-0a4i-5900000000-2f6069670cdd8c182d83 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 15 1.96 20 27 2.25 23 28 1.76 18 39 4.71 47 43 23.43 234 50 2.16 22 51 4.9 49 52 2.84 28 53 2.55 26 63 1.67 17 65 1.76 18 77 10.59 106 78 3.33 33 79 8.92 89 80 6.18 62 89 1.76 18 90 9.71 97 91 3.04 30 107 33.04 330 108 99.99 999 109 7.35 74 150 10.78 108 151 1 10 //