ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001697
RECORD_TITLE: PARA-NITROBENZOYL CHLORIDE; 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$NAME: PARA-NITROBENZOYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₄ClNO₃
CH$EXACT_MASS: 184.98797
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(c1)C(=O)Cl
CH$IUPAC: InChI=1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H
CH$LINK: INCHIKEY SKDHHIUENRGTHK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025742

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$SPLASH: splash10-0udi-8900000000-87827d4e9641ce426ca5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  28 2.84 28
  30 1.95 20
  35 3.01 30
  36 34.47 345
  37 3.85 39
  38 13.11 131
  39 2.12 21
  44 1.39 14
  49 1.17 12
  50 17.23 172
  51 3.46 35
  52 1.23 12
  62 1 10
  63 2.4 24
  64 2.73 27
  65 1.17 12
  73 1.67 17
  74 6.75 68
  75 16.73 167
  76 25.1 251
  77 3.23 32
  92 6.41 64
  103 22.25 223
  104 24.71 247
  105 1.56 16
  111 2.51 25
  113 0.78 8
  120 5.19 52
  121 1 10
  150 99.99 999
  151 7.92 79
  185 0.61 6
//