MassBank Record: JP000177



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

ACCESSION: JP000177
RECORD_TITLE: ORTHO BROMOTOLUENE; 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$NAME: ORTHO BROMOTOLUENE CH$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
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$SPLASH: splash10-006x-9400000000-7794c6b57fdd320dc8b6 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 38 2.76 28 39 11.12 111 41 1.31 13 43 1.09 11 45 2.33 23 50 5.45 55 51 4.58 46 61 1.82 18 62 4.72 47 63 11.7 117 64 2.54 25 65 23.84 238 89 11.48 115 90 8.36 84 91 99.99 999 92 7.12 71 169 3.49 35 170 46.88 469 171 6.9 69 172 45.28 453 173 2.91 29 //