MassBank Record: JP001009



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

ACCESSION: JP001009
RECORD_TITLE: PARA-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$NAME: PARA-CHLOROBENZOIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5ClO2 CH$EXACT_MASS: 155.99781 CH$SMILES: OC(=O)c(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)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$SPLASH: splash10-06ri-3900000000-6cb8a1e870e9cbb239fd PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 27 1 10 37 3.17 32 37.5 1.67 17 38 5.81 58 39 3.12 31 40 1.94 19 43 1.18 12 45 1.83 18 49 2.15 22 50 18.18 182 51 8.93 89 55 1.24 12 55.5 1.51 15 57 1.08 11 61 1.61 16 63 1.4 14 64 2.47 25 65 3.93 39 69.5 1.4 14 73 3.71 37 74 11.19 112 75 27.6 276 76 6.46 65 77 6.78 68 84 1.08 11 85 2.69 27 110 1.56 16 111 48.41 484 112 3.77 38 113 15.6 156 114 1 10 128 2.1 21 130 1.24 12 139 99.99 999 140 8.28 83 141 33.89 339 142 3.12 31 155 1.24 12 156 67.13 671 157 4.9 49 158 21.89 219 159 1.51 15 //