MassBank Record: JP004691



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

ACCESSION: JP004691
RECORD_TITLE: ORTHO-BROMOTOLUENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-BROMOTOLUENE CH$NAME: 2-BROMOTOLUENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H7Br CH$EXACT_MASS: 169.97311 CH$SMILES: Cc(c1)c(Br)ccc1 CH$IUPAC: InChI=1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3 CH$LINK: CAS 95-46-5 CH$LINK: INCHIKEY QSSXJPIWXQTSIX-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000 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: splash10-006x-9500000000-1eab3a6a4824ddea82d3 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 43 1.66 17 44 1.34 13 45 5.14 51 50 4.54 45 51 5 50 52 1.1 11 61 1.95 20 62 5.36 54 63 13.02 130 64 3.76 38 65 18.1 181 74 1.63 16 75 1.45 15 85 2.87 29 86 2.83 28 89 17.89 179 90 19.95 200 91 99.99 999 92 7.8 78 169 4.72 47 170 53.31 533 171 8.59 86 172 52.39 524 173 4.08 41 //