MassBank Record: JP005274



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

ACCESSION: JP005274
RECORD_TITLE: P-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$NAME: P-CHLOROBENZOIC ACID CH$NAME: 4-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$IUPAC: InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-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$SPLASH: splash10-0bti-4900000000-77e4728242ff5dcde92a PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 26 1.19 12 27 1.68 17 28 7.67 77 36 2.48 25 37 5.51 55 37.5 5.65 57 38 9.7 97 39 4.21 42 44 2.92 29 45 3.2 32 49 3.37 34 50 26.22 262 51 12.46 125 52 1.01 10 53 1.8 18 55.5 3.21 32 56.5 1.01 10 61 1.91 19 62 1.4 14 63 1.97 20 64 4.54 45 65 4.6 46 69.5 3.2 32 70.5 1.12 11 73 4.39 44 74 16.23 162 75 33.6 336 76 8.88 89 77 7.36 74 84 1.79 18 85 3.93 39 87 1.35 14 99 1.07 11 104 1.01 10 110 2.03 20 111 49.16 492 112 4.6 46 113 16.66 167 114 1.28 13 128 2.71 27 130 1.07 11 139 99.99 999 140 8.31 83 141 34.22 342 142 2.69 27 156 84.69 847 157 6.74 67 158 29.29 293 159 2.19 22 //