ACCESSION: MSBNK-Keio_Univ-KO003995
RECORD_TITLE: Sulfanilamide; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-02h9-9100000000-d798abed368c30f832c4
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  64.900 44554.5 391
  66.800 19802.0 174
  69.100 49505.0 434
  69.800 19802.0 174
  72.000 113861.5 999
  81.100 24752.5 217
  84.000 99010.0 869
  92.100 34653.5 304
  112.300 64356.5 565
//