ACCESSION: MSBNK-Keio_Univ-KO003993
RECORD_TITLE: Sulfanilamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID S016

CH$NAME: Sulfanilamide
CH$NAME: Sulfamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈N₂O₂S
CH$EXACT_MASS: 172.03065
CH$SMILES: Nc(c1)ccc(c1)S(N)(=O)=O
CH$IUPAC: InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
CH$LINK: CAS 63-74-1
CH$LINK: CHEBI 9333
CH$LINK: CHEMPDB SAN
CH$LINK: KEGG C07458
CH$LINK: NIKKAJI J4.829A
CH$LINK: PUBCHEM SID:9661
CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023622

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 173
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0uk9-5900000000-50aaf376888d903aa161
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  57.900 34653.5 84
  69.100 64356.5 156
  71.200 49505.0 120
  72.000 163366.5 397
  80.900 69307.0 169
  81.300 24752.5 60
  82.300 69307.0 169
  84.900 59406.0 144
  88.900 14851.5 36
  91.900 168317.0 409
  93.500 49505.0 120
  96.000 59406.0 144
  96.500 14851.5 36
  100.200 410891.5 999
  104.800 54455.5 132
  107.900 89109.0 217
  109.800 54455.5 132
  111.900 89109.0 217
  114.100 54455.5 132
  114.800 19802.0 48
  120.200 24752.5 60
  122.800 49505.0 120
  128.900 123762.5 301
  138.200 49505.0 120
  146.300 94059.5 229
  155.900 74257.5 181
  173.300 84158.5 205
  187.900 14851.5 36
//