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MassBank Record: KO003804

Piroxicam; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003804
RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-000f-3984000000-e855ded4bfe08c600884
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  85.000 9901.0 8
  88.900 9901.0 8
  94.900 1044555.5 811
  97.000 29703.0 23
  101.400 59406.0 46
  111.400 99010.0 77
  120.900 633664.0 492
  129.400 173267.5 134
  132.300 19802.0 15
  135.100 39604.0 31
  139.100 69307.0 54
  149.000 44554.5 35
  157.300 44554.5 35
  161.500 9901.0 8
  164.100 341584.5 265
  168.400 14851.5 12
  171.800 29703.0 23
  185.400 1287130.0 999
  191.200 14851.5 12
  199.200 84158.5 65
  203.300 400990.5 311
  213.300 74257.5 58
  215.900 34653.5 27
  217.100 44554.5 35
  223.000 94059.5 73
  225.500 24752.5 19
  232.600 49505.0 38
  233.400 113861.5 88
  241.300 1267328.0 984
  259.400 792080.0 615
  297.700 44554.5 35
  315.600 440594.5 342
  332.400 1138615.0 884
//

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