ACCESSION: MSBNK-Keio_Univ-KO003803
RECORD_TITLE: Piroxicam; 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 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 10 V

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

PK$SPLASH: splash10-00lr-0009000000-9e65aa6e4b407ea80734
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  95.000 39604.0 6
  101.100 64356.5 10
  115.700 14851.5 2
  120.900 14851.5 2
  131.900 29703.0 5
  157.000 34653.5 5
  171.300 24752.5 4
  185.400 59406.0 9
  198.000 29703.0 5
  200.900 24752.5 4
  217.500 262376.5 41
  223.200 69307.0 11
  223.700 24752.5 4
  225.100 49505.0 8
  227.900 14851.5 2
  232.600 39604.0 6
  233.100 113861.5 18
  234.200 99010.0 15
  241.500 133663.5 21
  244.000 19802.0 3
  255.600 19802.0 3
  259.500 128713.0 20
  264.100 14851.5 2
  272.300 79208.0 12
  278.800 9901.0 2
  296.500 59406.0 9
  300.500 64356.5 10
  315.500 4613866.0 713
  332.500 6460402.5 999
//