MassBank Record: KO001667

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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: KO001667
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: 331.0626800000000002910383045673370361328125
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 330
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-014j-0591000000-7d11d429795ac27fa093
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  59.200 34653.5 21
  130.000 19802.0 12
  130.900 123762.5 76
  146.000 618812.5 380
  148.300 34653.5 21
  162.100 222772.5 137
  169.100 262376.5 161
  171.700 19802.0 12
  192.200 74257.5 46
  210.000 267327.0 164
  266.300 1628714.5 999
  297.200 371287.5 228
  330.200 435644.0 267
//