MassBank Record: JP001313



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

ACCESSION: JP001313
RECORD_TITLE: ACETIC ACID PARA-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$NAME: ACETIC ACID PARA-TOLYL ESTER CH$NAME: PARA-CRESOL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: CC(=O)Oc(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
AC$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-4900000000-1e63cc956c8aa5d2b50e PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 15 3.36 34 27 3.56 36 39 3.71 37 43 17.35 174 50 2.22 22 51 4.45 45 52 2.74 27 53 2.97 30 63 1.48 15 65 1.63 16 77 8.9 89 78 2.67 27 79 6.23 62 80 4.15 42 90 5.04 50 91 2.52 25 107 41.51 415 108 99.99 999 109 7.56 76 150 10.16 102 151 1 10 //