ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003103
RECORD_TITLE: CHLORMEZANONE TRANCOPAL; 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$NAME: CHLORMEZANONE TRANCOPAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂ClNO₃S
CH$EXACT_MASS: 273.02264
CH$SMILES: CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl
CH$IUPAC: InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
CH$LINK: INCHIKEY WEQAYVWKMWHEJO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2717
CH$LINK: COMPTOX DTXSID3022798

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$SPLASH: splash10-0udi-7900000000-733639f4c3eb4295ed67
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
  25 0.9 9
  26 4 40
  27 8.1 81
  28 3.07 31
  29 1.3 13
  30 1 10
  32 3.8 38
  34 0.05 1
  35 0.3 3
  36 2.6 26
  37 0.5 5
  38 0.12 1
  39 4.4 44
  40 1.1 11
  41 6.5 65
  42 6.18 62
  43 2.3 23
  44 4.1 41
  45 1 10
  46 0.08 1
  47 1.8 18
  48 4 40
  49 0.8 8
  50 0.61 6
  51 5.4 54
  52 0.9 9
  53 0.2 2
  54 0.03 0
  55 7.4 74
  56 20.1 201
  57 3.2 32
  58 0.24 2
  59 1.3 13
  60 0.3 3
  61 1.4 14
  62 0.26 3
  63 6.9 69
  64 2.9 29
  65 1.2 12
  66 0.03 0
  67 0.2 2
  68 1.4 14
  69 24 240
  70 0.22 2
  71 1 10
  72 1.1 11
  73 2.3 23
  74 0.03 0
  75 12.2 122
  76 4.5 45
  77 7 70
  78 0.09 1
  79 0.1 1
  82 0.1 1
  83 0.2 2
  84 0.08 1
  85 1.6 16
  86 1.4 14
  87 1.4 14
  88 0.01 0
  89 11.5 115
  90 3.4 34
  91 5.2 52
  92 0.03 0
  97 15 150
  98 58 580
  99 4.5 45
  100 0.08 1
  101 1.1 11
  102 5.1 51
  103 1.5 15
  104 0.01 0
  105 0.2 2
  110 0.4 4
  111 20 200
  112 0.69 7
  113 6 60
  114 2.2 22
  115 1.3 13
  116 0.03 0
  117 15.3 153
  118 9.5 95
  119 1.5 15
  120 0.04 0
  121 0.1 1
  123 1.3 13
  124 1.1 11
  125 1.74 17
  126 2 20
  127 6.1 61
  128 0.9 9
  137 0.63 6
  138 2.9 29
  139 3.1 31
  140 1.5 15
  141 0.01 0
  142 0.3 3
  143 0.1 1
  144 0.2 2
  145 0.02 0
  146 1.1 11
  149 0.3 3
  150 0.5 5
  151 0.23 2
  152 99.99 999
  153 31.9 319
  154 42.1 421
  155 0.15 2
  156 9.5 95
  157 0.9 9
  166 0.7 7
  167 0.01 0
  168 0.4 4
  174 27.7 277
  175 3.3 33
  176 0.03 0
  178 0.1 1
  180 1.6 16
  181 0.8 8
  182 0.05 1
  194 0.3 3
  208 13.7 137
  209 6.9 69
  210 0.61 6
  211 2.2 22
  212 0.2 2
  274 0.4 4
//