ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010588
RECORD_TITLE: 3-CHLORO-4-NITROISOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 3-CHLORO-4-NITROISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃HClN₂O₃
CH$EXACT_MASS: 147.96757
CH$SMILES: [O-1][N+1](=O)c(c1)c(Cl)no1
CH$IUPAC: InChI=1S/C3HClN2O3/c4-3-2(6(7)8)1-9-5-3/h1H
CH$LINK: INCHIKEY NQLCWYZQXQDQGZ-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0032-9200000000-ca7f3e9006e7d30aa5c4
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  12 2.4 24
  16 1.31 13
  24 1.19 12
  25 1.21 12
  27 2.23 22
  28 10.72 107
  29 88.3 883
  30 99.99 999
  32 1.41 14
  35 4.87 49
  36 2.2 22
  37 5.29 53
  38 13.61 136
  39 11.1 111
  41 2.73 27
  43 5.58 56
  45 1.22 12
  46 12.77 128
  47 25 250
  49 8.48 85
  51 1.68 17
  54 2.08 21
  61 2.47 25
  62 6 60
  63 4.39 44
  64 1.6 16
  66 1.19 12
  67 3.68 37
  68 2.21 22
  69 6.21 62
  70 1.38 14
  72 10.91 109
  73 5.79 58
  74 23.16 232
  76 6.53 65
  87 2.08 21
  101 2.32 23
  102 4.91 49
  103 2.48 25
  104 1.29 13
  148 71.43 714
  149 3.67 37
  150 21.43 214
  151 1.11 11
//