ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008175
RECORD_TITLE: 2-NITROBENZENESULFONIC ACID; 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$NAME: 2-NITROBENZENESULFONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO5S
CH$EXACT_MASS: 202.98884
CH$SMILES: [O-1][N+1](=O)c(c1)c(ccc1)S(O)(=O)=O
CH$IUPAC: InChI=1S/C6H5NO5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,10,11,12)
CH$LINK: INCHIKEY HWTDMFJYBAURQR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9075321
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$SPLASH: splash10-053i-9610000000-b678ccd5a36c7838a06e
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  27 1.68 17
  30 52.37 524
  37 1.64 16
  38 4.52 45
  39 19.49 195
  46 14 140
  48 2.72 27
  49 1.17 12
  50 28.86 289
  51 6.42 64
  52 7.55 76
  53 6.83 68
  55 1.07 11
  61 1.14 11
  62 3.19 32
  63 30.88 309
  64 20.98 210
  65 61.96 620
  66 4.44 44
  67 1.07 11
  69 2.97 30
  70 1.76 18
  73 1.6 16
  74 17.39 174
  75 11.69 117
  76 19.24 192
  77 7.76 78
  78 7.95 80
  79 17.64 176
  80 4.19 42
  81 31.6 316
  82 2.04 20
  92 50.61 506
  93 16.43 164
  94 5.57 56
  95 4.29 43
  96 1.73 17
  106 2.09 21
  107 4.23 42
  108 4.68 47
  109 77.98 780
  110 8.51 85
  122 11.42 114
  123 21.84 218
  124 2.65 27
  139 26.08 261
  140 2.23 22
  170 5.25 53
  173 1.23 12
  183 1.32 13
  186 99.99 999
  187 42.27 423
  188 9.88 99
  189 2.52 25
  200 2.31 23
  203 41.85 419
  204 18.47 185
  205 3.47 35
  206 1.02 10
//
