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MassBank Record: KO001670

Piroxicam; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: KO001670
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

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

PK$SPLASH: splash10-00kf-5900000000-1d4473d813b920140b81
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  93.200 445545.0 999
  119.200 326733.0 733
  120.900 19802.0 44
  130.600 163366.5 366
  144.200 54455.5 122
  145.900 103960.5 233
  148.900 79208.0 178
  265.300 24752.5 56
//

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