MassBank Record: JP006757



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

ACCESSION: JP006757
RECORD_TITLE: O-BROMOPHENOL; 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$NAME: O-BROMOPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H5BrO CH$EXACT_MASS: 171.95238 CH$SMILES: Oc(c1)c(Br)ccc1 CH$IUPAC: InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H CH$LINK: INCHIKEY VADKRMSMGWJZCF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8052641
AC$INSTRUMENT: HITACHI RMS-4 AC$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$SPLASH: splash10-00di-9600000000-6c8d91ec2d8cd63d450f PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 40 4.6 46 46 5.9 59 49 5.3 53 50 1.32 13 51 4.8 48 53 20.4 204 54 2 20 55 0.2 2 60 3.1 31 61 13.7 137 62 22.6 226 63 5.45 55 64 55.2 552 65 87.3 873 66 11.2 112 72 0.13 1 73 3.6 36 74 8.4 84 75 4.3 43 76 0.18 2 77 1.3 13 79 3.8 38 80 2 20 81 0.36 4 82 1.8 18 86 4.8 48 87 4.8 48 91 0.15 2 92 15.5 155 93 21.9 219 94 2.3 23 116 0.13 1 117 5.6 56 118 1.5 15 119 5.1 51 143 0.59 6 144 2.3 23 145 5.6 56 146 2.3 23 172 99.99 999 173 11.2 112 174 98.2 982 175 10.7 107 //

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