MassBank Record: JP010378



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

ACCESSION: JP010378
RECORD_TITLE: ORTHO-TOLYLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-TOLYLACETIC ACID CH$NAME: ORTHO-METHYLPHENYLACETIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: OC(=O)Cc(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) CH$LINK: INCHIKEY RZWGTXHSYZGXKF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-1900000000-8c5a859cece90bea65d0 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 41 1.1 11 43 3.5 35 45 1.4 14 55 0.15 2 56 1.5 15 57 2.5 25 58 1.5 15 60 0.16 2 69 1.4 14 70 1 10 71 1.5 15 77 0.49 5 78 1.4 14 79 7.7 77 85 1 10 91 1.46 15 92 1.1 11 103 3.7 37 104 4 40 105 99.99 999 106 11.2 112 132 2.1 21 149 2.4 24 150 4.9 49 151 5.5 55 //