ACCESSION: MSBNK-Keio_Univ-KO003806
RECORD_TITLE: Piroxicam; 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 P068

CH$NAME: Piroxicam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₃N₃O₄S
CH$EXACT_MASS: 331.06268
CH$SMILES: c(c3)cnc(c3)NC(=O)C(=C(O)1)N(C)S(=O)(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
CH$LINK: CAS 36322-90-4
CH$LINK: KEGG C01608
CH$LINK: NIKKAJI J3.498C
CH$LINK: PUBCHEM SID:4761
CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021170

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$FOCUSED_ION: PRECURSOR_M/Z 332
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-006t-9600000000-db1bff24de3a9b89b68d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  43.100 14851.5 12
  57.300 69307.0 54
  67.100 64356.5 50
  69.100 326733.0 254
  79.300 64356.5 50
  81.300 193069.5 150
  83.300 89109.0 69
  90.700 19802.0 15
  93.000 183168.5 142
  95.100 1287130.0 999
  96.100 24752.5 19
  97.100 306931.0 238
  101.000 84158.5 65
  106.800 113861.5 88
  111.200 158416.0 123
  117.200 14851.5 12
  121.400 975248.5 757
  130.900 39604.0 31
  131.800 24752.5 19
  139.300 227723.0 177
  148.200 19802.0 15
  149.100 44554.5 35
  160.400 19802.0 15
  184.900 19802.0 15
  198.000 19802.0 15
  207.400 74257.5 58
//