MassBank Record: JP002531



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

ACCESSION: JP002531
RECORD_TITLE: META-CRESOL 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$NAME: META-CRESOL ACETATE CH$NAME: META-TOLYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: CC(=O)Oc(c1)cc(C)cc1 CH$IUPAC: InChI=1S/C9H10O2/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H3
AC$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: splash10-0a4i-5900000000-d82c9754fc9037b9fbd2 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 15 5.17 52 27 3.67 37 28 2.6 26 38 1.67 17 39 6.81 68 43 22.75 228 50 2.42 24 51 5.05 51 52 2.92 29 53 3.26 33 63 2.34 23 65 2.06 21 77 9.07 91 78 3.1 31 79 8.08 81 80 4.01 40 90 4.47 45 91 3.1 31 106 1.04 10 107 29.02 290 108 99.99 999 109 7.8 78 150 15.23 152 151 1.57 16 //