MassBank Record: AU115201

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Meloxicam; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: AU115201
RECORD_TITLE: Meloxicam; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
DATE: 2015.09.23
AUTHORS: Nikiforos Alygizakis, Anna Bletsou, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY-SA
COPYRIGHT: Copyright (C) 2015 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 1152

CH$NAME: Meloxicam CH$NAME: 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxamide CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C14H13N3O4S2 CH$EXACT_MASS: 351.0347479 CH$SMILES: Cc1cnc(s1)/N=C(/C2=C(c3ccccc3S(=O)(=O)N2C)O)\O CH$IUPAC: InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) CH$LINK: CAS 133687-22-6 CH$LINK: KEGG C08169 CH$LINK: PUBCHEM CID:54677470 CH$LINK: INCHIKEY ZRVUJXDFFKFLMG-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 10442740 CH$LINK: COMPTOX DTXSID1020803
AC$INSTRUMENT: Bruker maXis Impact AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: RESOLUTION 35000 AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min AC$CHROMATOGRAPHY: RETENTION_TIME 7.3 min AC$CHROMATOGRAPHY: SOLVENT A water with 0.01% formic acid and 5mM ammonium formate AC$CHROMATOGRAPHY: SOLVENT B 90:10 methanol:water with 0.01% formic acid and 5mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 352.0309 MS$FOCUSED_ION: PRECURSOR_M/Z 352.042 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1 MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.0.2
PK$SPLASH: splash10-0udi-0009000000-d860614369de32fc5b55 PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 115.0281 C7H3N2+ 5 115.0291 -8.55 141.0063 C5H3NO4+ 6 141.0057 4.37 352.0414 C14H14N3O4S2+ 1 352.042 -1.70 353.0446 C13[13]CH14N3O4S2+ 1 353.0459 -3.68 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 115.0281 1536 52 141.0063 948 32 352.0414 29064 999 353.0446 3676 126 //