ACCESSION: MSBNK-Keio_Univ-KO003992
RECORD_TITLE: Sulfanilamide; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-05fr-0900000000-43cb75637a921937a7a5
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  54.800 9901.0 7
  68.900 54455.5 40
  69.300 34653.5 26
  72.800 19802.0 15
  81.000 143564.5 107
  86.600 54455.5 40
  95.800 9901.0 7
  99.900 113861.5 84
  100.700 24752.5 18
  105.100 198020.0 147
  108.300 29703.0 22
  110.900 29703.0 22
  113.100 19802.0 15
  114.900 59406.0 44
  119.300 24752.5 18
  123.200 1321783.5 981
  131.700 59406.0 44
  136.800 39604.0 29
  138.100 99010.0 73
  141.300 163366.5 121
  146.000 59406.0 44
  155.300 64356.5 48
  156.100 1346536.0 999
  173.300 500000.5 371
//