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MassBank Record: KO003996

Sulfanilamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003996
RECORD_TITLE: Sulfanilamide; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-00lr-9000000000-5cd62daf8fa463f7b17c
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  42.100 19802.0 266
  65.000 49505.0 666
  84.100 74257.5 999
//

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