ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001668
RECORD_TITLE: 1-CHLORO-4-NITROBENZENE; 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$NAME: 1-CHLORO-4-NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4ClNO2
CH$EXACT_MASS: 156.99306
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
CH$LINK: INCHIKEY CZGCEKJOLUNIFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020281
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$SPLASH: splash10-06vi-9800000000-5ae52005af4e84fed3e6
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 1.31 13
  28 3.5 35
  30 15.95 160
  36 1.46 15
  37 4.59 46
  38 4.73 47
  39 2.48 25
  49 2.91 29
  50 34.01 340
  51 12.96 130
  61 3.71 37
  62 2.04 20
  63 4.15 42
  64 1.31 13
  73 9.4 94
  74 20.32 203
  75 99.99 999
  76 13.04 130
  84 1.82 18
  85 7.94 79
  87 2.55 26
  99 27.6 276
  100 1.6 16
  101 8.67 87
  111 87.69 877
  112 5.97 60
  113 27.39 274
  114 1.68 17
  127 28.84 288
  128 1.82 18
  129 9.1 91
  141 2.91 29
  157 64.53 645
  158 4.44 44
  159 20.61 206
  160 1.31 13
//
