MassBank Record: JP001007



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

ACCESSION: JP001007
RECORD_TITLE: ORTHO-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$NAME: ORTHO-CHLOROBENZOIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5ClO2 CH$EXACT_MASS: 155.99781 CH$SMILES: OC(=O)c(c1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(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$SPLASH: splash10-052u-5900000000-7b57c648887a7aae41a8 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 27 2.14 21 28 2.47 25 29 1.26 13 37 4.18 42 37.5 2.25 23 38 6.98 70 39 5.82 58 41 1.54 15 43 1.92 19 44 1.59 16 45 3.3 33 49 2.75 28 50 22.69 227 51 12.2 122 55 1.65 17 55.5 1.87 19 57 1.92 19 61 1.81 18 62 1.21 12 63 2.69 27 64 3.3 33 65 4.07 41 69 1.81 18 69.5 1.87 19 70 1.59 16 73 3.19 32 74 10.44 104 75 30.93 309 76 15.16 152 77 9.23 92 84 1.54 15 85 2.75 28 92 1.65 17 95 14.51 145 111 37.36 374 112 4.12 41 113 11.87 119 123 19.4 194 128 2.31 23 130 2.2 22 139 99.99 999 140 22.42 224 141 35.33 353 142 2.86 29 156 64.29 643 157 4.95 50 158 20.6 206 159 1.48 15 //