ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003097
RECORD_TITLE: CHLORZOXAZONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: CHLORZOXAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₄ClNO₂
CH$EXACT_MASS: 168.99306
CH$SMILES: O=C(O1)Nc(c2)c(ccc(Cl)2)1
CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9022813

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-02t9-7900000000-bf1beeca5227a276a1a9
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  35 2.9 29
  36 14.9 149
  37 5 50
  38 0.67 7
  39 8 80
  40 5.9 59
  41 3.1 31
  42 0.01 0
  43 2 20
  44 17.9 179
  45 0.9 9
  46 0.02 0
  47 0.9 9
  48 0.9 9
  49 4.9 49
  50 1.68 17
  51 20.4 204
  52 10.9 109
  53 2.8 28
  54 0.09 1
  55 2.9 29
  56 1.3 13
  57 2.3 23
  58 0.09 1
  60 2.5 25
  61 5.8 58
  62 9.4 94
  63 1.99 20
  64 2.7 27
  65 1.6 16
  66 0.3 3
  70 0.01 0
  71 1.3 13
  72 1.6 16
  73 1.9 19
  74 0.17 2
  75 4.6 46
  76 12.9 129
  77 5.9 59
  78 5.79 58
  79 6.9 69
  80 0.9 9
  85 2.8 28
  86 0.47 5
  87 2 20
  88 1.9 19
  89 2.1 21
  90 0.49 5
  91 2 20
  92 0.8 8
  95 1.2 12
  96 0.09 1
  97 1.4 14
  98 4.4 44
  99 0.9 9
  100 0.23 2
  101 0.2 2
  105 0.9 9
  106 2.3 23
  107 0.09 1
  112 2.7 27
  113 55.4 554
  114 5.7 57
  115 1.67 17
  116 1.9 19
  119 1.9 19
  125 4.4 44
  126 0.08 1
  127 1.9 19
  128 0.3 3
  140 2.9 29
  141 0.18 2
  142 1.1 11
  143 1.7 17
  144 0.2 2
  166 0.04 0
  167 0.9 9
  168 1.2 12
  169 99.99 999
  170 0.84 8
  171 31.4 314
  172 4 40
  173 0.9 9
//