MassBank Record: BML81023

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Cytidine; LC-APCI-QTOF; MS; NEGATIVE
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

ACCESSION: BML81023
RECORD_TITLE: Cytidine; LC-APCI-QTOF; MS; NEGATIVE
DATE: 2016.01.19 (2012.10.26)
AUTHORS: Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University
LICENSE: CC BY-SA
COMMENT: relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054

CH$NAME: Cytidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H13N3O5 CH$EXACT_MASS: 243.085521 CH$SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16) CH$LINK: CAS 65-46-3 CH$LINK: CHEMSPIDER 576 CH$LINK: PUBCHEM CID:596 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-UHFFFAOYSA-N
AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF AC$INSTRUMENT_TYPE: LC-APCI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: SCANNING m/z 100-1000 AC$CHROMATOGRAPHY: COLUMN_NAME Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 60 C AC$CHROMATOGRAPHY: FLOW_GRADIENT linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min) AC$CHROMATOGRAPHY: FLOW_RATE 0.6 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 0.403 AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid
PK$SPLASH: splash10-0006-0090000000-7d6eb9ddd4032af505d8 PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 242.0782235 1095219 999 //