MassBank Record: JP005285



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

ACCESSION: JP005285
RECORD_TITLE: O-CHLOROBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: O-CHLOROBENZOIC ACID CH$NAME: 2-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$IUPAC: InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) CH$LINK: INCHIKEY IKCLCGXPQILATA-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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4r-4900000000-5757c9282425922eb936 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 27 1.74 17 37 4.84 48 37.5 2.9 29 38 7.17 72 39 5.62 56 45 3.19 32 49 3.34 33 50 23.63 236 51 12.58 126 53 1.45 15 55.5 2.51 25 60 1.16 12 61 1.45 15 62 1.26 13 63 2.51 25 64 2.61 26 65 4.5 45 69.5 3.15 32 70.5 1.16 12 73 3.39 34 74 12.06 121 75 28.58 286 76 16.71 167 77 9.06 91 78 1.16 12 84 2.13 21 85 3.63 36 86 1.06 11 87 1.35 14 92 1.4 14 110 1.45 15 111 36.56 366 112 3.97 40 113 11.86 119 114 1.3 13 121 1.5 15 128 2.91 29 139 99.99 999 140 8.51 85 141 33.03 330 142 2.47 25 156 81.65 817 157 6.83 68 158 26.93 269 159 2.13 21 //