ACCESSION: MSBNK-Keio_Univ-KO003807
RECORD_TITLE: Piroxicam; 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 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 50 V

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

PK$SPLASH: splash10-00r2-9200000000-22caea8b3219419be51f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  57.200 59406.0 102
  67.000 64356.5 111
  69.000 326733.0 564
  71.700 19802.0 34
  78.900 108911.0 188
  81.400 163366.5 282
  90.800 34653.5 60
  93.100 118812.0 205
  95.100 579208.5 999
  96.900 103960.5 179
  107.400 24752.5 43
  121.200 351485.5 606
  136.000 24752.5 43
  148.900 19802.0 34
  152.800 39604.0 68
  207.100 24752.5 43
  209.400 24752.5 43
//