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MassBank Record: KO001668

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: KO001668
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: 331.06268
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 30 V

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

PK$SPLASH: splash10-000t-0910000000-42d97ebe5da8190aa202
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  92.800 153465.5 113
  119.300 193069.5 142
  124.800 14851.5 11
  130.000 69307.0 51
  130.800 801981.0 591
  143.900 74257.5 55
  146.000 1356437.0 999
  148.300 39604.0 29
  162.300 74257.5 55
  168.600 29703.0 22
  172.400 19802.0 15
  192.300 158416.0 117
  266.000 183168.5 135
  297.600 148515.0 109
  330.000 19802.0 15
//

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