ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010471
RECORD_TITLE: 2-ANILINESULFONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 2-ANILINESULFONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₇NO₃S
CH$EXACT_MASS: 173.01466
CH$SMILES: Nc(c1)c(ccc1)S(O)(=O)=O
CH$IUPAC: InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
CH$LINK: INCHIKEY ZMCHBSMFKQYNKA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1024463

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-00kf-9100000000-b4789c287093bcb14173
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  26 4.91 49
  27 8.78 88
  30 2.1 21
  37 8.36 84
  38 22.77 228
  39 52.52 525
  40 9.9 99
  41 19.03 190
  42 4.99 50
  44 2.2 22
  45 3.42 34
  46 1.89 19
  47 2.64 26
  48 39.32 393
  49 3.11 31
  50 11.48 115
  51 11.65 117
  52 33.42 334
  53 14.4 144
  54 8.7 87
  55 1.16 12
  61 5.37 54
  62 12.3 123
  63 31.95 320
  64 69.58 696
  65 99.99 999
  66 31.62 316
  67 4.16 42
  69 2.87 29
  70 1.26 13
  73 1.16 12
  74 3.82 38
  75 3.11 31
  76 3.23 32
  77 1.56 16
  78 4.38 44
  79 4.25 43
  80 37.37 374
  81 10.76 108
  82 1.98 20
  88 1.05 11
  89 1.48 15
  90 3.7 37
  91 94.78 948
  92 35.51 355
  93 58.09 581
  94 4.92 49
  95 1.43 14
  96 1.13 11
  106 4.89 49
  108 22.15 222
  109 4.67 47
  122 1.25 13
  138 7.31 73
  139 1.22 12
  140 1.64 16
  155 32.35 324
  156 5.21 52
  157 2.18 22
  173 69.76 698
  174 6.3 63
  175 3.91 39
//