MassBank Record: JP006758



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

ACCESSION: JP006758
RECORD_TITLE: M-BROMOBENZALDEHYDE; 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$NAME: M-BROMOBENZALDEHYDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5BrO CH$EXACT_MASS: 183.95238 CH$SMILES: O=Cc(c1)cc(Br)cc1 CH$IUPAC: InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H CH$LINK: INCHIKEY SUISZCALMBHJQX-UHFFFAOYSA-N
AC$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: splash10-0f9i-9800000000-9a22906d6d0dae14e210 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 40 6.3 63 43 1.5 15 44 2.4 24 45 0.15 2 48 2.1 21 49 14.2 142 50 99.99 999 51 5.6 56 52 4.2 42 53 4.2 42 60 2.4 24 61 0.72 7 62 7.2 72 63 4.5 45 65 2.4 24 72 0.21 2 73 14.5 145 74 48.5 485 75 56 560 76 5.87 59 77 58.7 587 78 5.4 54 79 4.5 45 80 0.15 2 81 4.2 42 82 1.5 15 84 1.5 15 85 0.24 2 86 2.7 27 87 1.5 15 89 1.5 15 91 0.12 1 92 1.2 12 93 1.2 12 103 1.5 15 104 0.48 5 105 2.4 24 106 1.5 15 107 1.8 18 116 0.12 1 117 1.5 15 118 1.2 12 119 1.5 15 128 0.18 2 129 2.4 24 130 1.8 18 131 2.4 24 155 4.76 48 156 23.5 235 157 45.8 458 158 6.9 69 183 7.83 78 184 68.1 681 185 80.1 801 186 70.2 702 187 6.6 66 //