MassBank Record: JP010339



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

ACCESSION: JP010339
RECORD_TITLE: ORTHO-BROMOBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-BROMOBENZOIC ACID CH$NAME: 2-BROMOBENZOIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5BrO2 CH$EXACT_MASS: 199.94729 CH$SMILES: OC(=O)c(c1)c(Br)ccc1 CH$IUPAC: InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 88-65-3 CH$LINK: INCHIKEY XRXMNWGCKISMOH-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80A 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: splash10-0udi-9430000000-7c515a6fcedea63a4731 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 25 1.45 15 26 4.93 49 27 5.16 52 29 3.67 37 36 2.09 21 37 16.23 162 38 21.72 217 39 25.83 258 44 3.09 31 45 27.71 277 48 1.24 12 49 11.3 113 50 77 770 51 29.21 292 52 2.49 25 53 6.06 61 60 1.49 15 61 3.88 39 62 3.53 35 63 7.02 70 64 5.79 58 65 31.83 318 66 2.95 30 73 9.13 91 74 36.87 369 75 47.75 478 76 52.6 526 77 26.94 269 78 3.08 31 79 5.64 56 80 2.13 21 81 5.49 55 82 2.07 21 92 5.14 51 93 3.63 36 104 2.27 23 121 2.37 24 128 1.03 10 129 1.42 14 130 1 10 131 1.53 15 139 1.53 15 155 26.36 264 156 3.7 37 157 25.56 256 158 2.41 24 172 2.17 22 174 2.03 20 183 78.68 787 184 6.39 64 185 76.47 765 186 5.91 59 200 99.99 999 201 8.63 86 202 97.26 973 203 8.29 83 //