ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006289
RECORD_TITLE: SULFOMETHOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: SULFOMETHOXAZOLE
CH$NAME: 4-AMINO-N'-(5-METHYL-3-ISOXAZOLYL)-BENZENESULFONAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁N₃O₃S
CH$EXACT_MASS: 253.05211
CH$SMILES: Nc(c2)ccc(c2)S(=O)(=O)Nc(n1)cc(C)o1
CH$IUPAC: InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
CH$LINK: INCHIKEY JLKIGFTWXXRPMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026064

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$SPLASH: splash10-05mo-8900000000-8a6ba1e89f89f5cb1e3c
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  15 0.99 10
  27 1.37 14
  28 5.75 58
  30 0.9 9
  39 10.65 107
  40 1.65 17
  41 5.59 56
  42 2.53 25
  43 10.97 110
  52 3.9 39
  53 2.43 24
  54 2.02 20
  55 1.75 18
  63 2.4 24
  64 4.72 47
  65 48.36 484
  66 8.39 84
  67 5.12 51
  68 2.04 20
  69 1.49 15
  78 0.87 9
  79 3.03 30
  80 6.1 61
  81 0.62 6
  83 0.91 9
  90 1.36 14
  91 5.88 59
  92 99.99 999
  93 10.18 102
  97 0.91 9
  98 1.1 11
  105 1.96 20
  106 8.74 87
  107 5.21 52
  108 54.39 544
  109 4.38 44
  118 3.46 35
  119 33.35 334
  120 3.09 31
  123 0.79 8
  124 0.68 7
  140 9.59 96
  141 0.85 9
  142 0.52 5
  145 0.63 6
  146 2.41 24
  147 2.82 28
  156 49.74 497
  157 5.13 51
  158 2.68 27
  160 1.53 15
  162 35.32 353
  163 3.85 39
  174 19.25 193
  175 2.1 21
  188 4.75 48
  189 11.39 114
  190 1.39 14
  191 0.55 6
  253 11.69 117
  254 2.81 28
  255 1.96 20
//