ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011281
RECORD_TITLE: META-CHLORONITROBENZENE; 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$NAME: META-CHLORONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄ClNO₂
CH$EXACT_MASS: 156.99306
CH$SMILES: [O-1][N+1](=O)c(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
CH$LINK: INCHIKEY KMAQZIILEGKYQZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021971

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-08i0-7900000000-80b39a02069a03495157
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  27 1.18 12
  28 1.14 11
  30 51.99 520
  37 3.67 37
  38 5.13 51
  39 5.09 51
  46 5.56 56
  49 2.3 23
  50 26.84 268
  51 12.99 130
  53 1.57 16
  61 3.74 37
  62 2.9 29
  63 9.39 94
  64 2.62 26
  69 4 40
  73 8.47 85
  74 21 210
  75 91.15 912
  76 18.7 187
  77 1.45 15
  84 2.45 25
  85 9.2 92
  86 1.37 14
  87 3.43 34
  90 1.23 12
  91 1.01 10
  92 1.51 15
  99 47.01 470
  100 2.81 28
  101 15.23 152
  110 1.35 14
  111 99.99 999
  112 7.81 78
  113 31.74 317
  114 2.45 25
  125 3.47 35
  127 19.29 193
  128 2.08 21
  129 5.82 58
  141 37.89 379
  142 3.58 36
  143 12.2 122
  144 1.13 11
  157 96.61 966
  158 18.05 181
  159 32.55 326
  160 5.84 58
//