ACCESSION: MSBNK-Keio_Univ-KO003994
RECORD_TITLE: Sulfanilamide; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0h93-9400000000-cf00412f8d6022da5a4e
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  42.800 24752.5 111
  65.300 29703.0 133
  67.200 14851.5 67
  69.000 54455.5 244
  72.200 222772.5 999
  73.200 9901.0 44
  81.200 24752.5 111
  82.400 24752.5 111
  84.200 99010.0 444
  92.200 103960.5 466
  95.200 29703.0 133
  100.000 113861.5 511
  108.300 49505.0 222
  108.800 9901.0 44
  112.200 153465.5 688
//