ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011659
RECORD_TITLE: 4-NITROBENZYL BROMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-NITROBENZYL BROMIDE
CH$NAME: ALPHA-BROMO-4-NITROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆BrNO₂
CH$EXACT_MASS: 214.95819
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(c1)CBr
CH$IUPAC: InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
CH$LINK: CAS 100-11-8
CH$LINK: NIKKAJI J4.977H
CH$LINK: INCHIKEY VOLRSQPSJGXRNJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7049392

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-000i-9710000000-25a76843974a1f2654a2
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  30 16.64 166
  38 2.26 23
  39 5.66 57
  40 1.08 11
  50 3.68 37
  51 5.16 52
  52 1.94 19
  61 1.42 14
  62 4.71 47
  63 12.82 128
  64 4.98 50
  77 1.82 18
  78 29.92 299
  79 1.84 18
  86 1.18 12
  87 1.06 11
  89 22.73 227
  90 25.52 255
  91 1.88 19
  106 15.85 159
  107 1.23 12
  120 1.51 15
  136 99.99 999
  137 8.22 82
  169 1.14 11
  215 8.03 80
  216 1.02 10
  217 7.81 78
//