MassBank Record: BML80463

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5-Bromo-2'-deoxyuridine; LC-APCI-QTOF; MS; NEGATIVE

Mass Spectrum
Chemical Structure
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ACCESSION: BML80463
RECORD_TITLE: 5-Bromo-2'-deoxyuridine; LC-APCI-QTOF; MS; NEGATIVE
DATE: 2016.01.19 (Created 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 0.233

CH$NAME: 5-Bromo-2'-deoxyuridine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11BrN2O5
CH$EXACT_MASS: 305.985134
CH$SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O
CH$IUPAC: InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)
CH$LINK: CAS 59-14-3
CH$LINK: CHEMSPIDER 206128
CH$LINK: PUBCHEM CID:236184
CH$LINK: INCHIKEY WOVKYSAHUYNSMH-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 1.728
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

PK$SPLASH: splash10-0udi-0009000000-d4c0fd61f9035475606d
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  304.9778235 201511 999
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