MassBank Record: KO003805

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Piroxicam; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003805
RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:30 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: 331.0626800000000002910383045673370361328125
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: COMPTOX DTXSID5021170
CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N
CH$LINK: KEGG C01608
CH$LINK: NIKKAJI J3.498C
CH$LINK: PUBCHEM SID:4761

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 30 V

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

PK$SPLASH: splash10-007c-3900000000-fb37337024398fe8044d
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  57.000 29703.0 21
  69.100 39604.0 28
  80.800 118812.0 83
  83.300 44554.5 31
  84.900 39604.0 28
  93.000 39604.0 28
  94.900 1435645.0 999
  97.000 103960.5 72
  101.200 74257.5 52
  101.400 19802.0 14
  105.200 34653.5 24
  106.900 44554.5 31
  111.100 128713.0 90
  118.900 29703.0 21
  121.000 1351486.5 940
  130.000 24752.5 17
  131.100 39604.0 28
  135.400 14851.5 10
  136.100 14851.5 10
  139.200 787129.5 548
  149.400 188119.0 131
  157.200 113861.5 79
  159.000 34653.5 24
  161.300 19802.0 14
  162.000 49505.0 34
  164.200 272277.5 189
  164.600 64356.5 45
  167.300 74257.5 52
  185.200 896040.5 624
  199.000 29703.0 21
  203.100 207921.0 145
  207.500 59406.0 41
  208.900 49505.0 34
  209.700 19802.0 14
  281.400 24752.5 17
  332.500 24752.5 17
//