MassBank Record: JP001008



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

ACCESSION: JP001008
RECORD_TITLE: META-CHLOROBENZOIC ACID; 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$NAME: META-CHLOROBENZOIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5ClO2 CH$EXACT_MASS: 155.99781 CH$SMILES: OC(=O)c(c1)cc(Cl)cc1 CH$IUPAC: InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
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$SPLASH: splash10-0bti-3900000000-ff604323020f2ae9a71a PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 27 1.19 12 37 3.46 35 37.5 2.51 25 38 6.69 67 39 3.58 36 45 2.57 26 49 2.27 23 50 17.56 176 51 9.98 100 55.5 2.51 25 61 1.79 18 63 1.79 18 64 2.69 27 65 4.66 47 69.5 2.39 24 73 3.46 35 74 9.74 97 75 27.3 273 76 7.41 74 77 9.02 90 84 1.37 14 85 2.93 29 110 2.09 21 111 52.09 521 112 4.42 44 113 16.31 163 114 1.14 11 121 1.55 16 123 1.02 10 128 2.09 21 130 1.79 18 139 99.99 999 140 8.24 82 141 32.44 324 142 2.39 24 155 1.19 12 156 81.96 820 157 6.33 63 158 26.11 261 159 1.85 19 //