ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005739
RECORD_TITLE: SULFANILIC ACID; 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$NAME: SULFANILIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₇NO₃S
CH$EXACT_MASS: 173.01466
CH$SMILES: Nc(c1)ccc(c1)S(O)(=O)=O
CH$IUPAC: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
CH$LINK: CAS 121-57-3
CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024464

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$SPLASH: splash10-05fr-8900000000-e928aec8ce5fc6e7ed0e
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  18 2.3 23
  27 2.9 29
  28 8.9 89
  38 3.6 36
  39 14.8 148
  40 2.1 21
  48 4.6 46
  51 3.1 31
  52 6.3 63
  53 7.3 73
  54 3.6 36
  62 3.5 35
  63 9 90
  64 6.8 68
  65 34.8 348
  66 6.8 68
  80 28.2 282
  81 5.6 56
  91 5.7 57
  92 25.8 258
  93 11.5 115
  104 2.5 25
  106 4.9 49
  108 62.5 625
  109 13.4 134
  140 2.2 22
  156 7.2 72
  173 99.99 999
  174 8.5 85
  175 6 60
//