MassBank Record: BML01428

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2'-O-Methylcytidine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

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

ACCESSION: BML01428
RECORD_TITLE: 2'-O-Methylcytidine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
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 0.053

CH$NAME: 2'-O-Methylcytidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15N3O5
CH$EXACT_MASS: 257.101171
CH$SMILES: COC1C(C(OC1N2C=CC(=NC2=O)N)CO)O
CH$IUPAC: InChI=1S/C10H15N3O5/c1-17-8-7(15)5(4-14)18-9(8)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)
CH$LINK: CAS 2140-72-9
CH$LINK: CHEMSPIDER 266344
CH$LINK: PUBCHEM CID:301382
CH$LINK: INCHIKEY RFCQJGFZUQFYRF-UHFFFAOYSA-N

AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 ev
AC$MASS_SPECTROMETRY: COLLISION_GAS N2
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 0.389
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 112
MS$FOCUSED_ION: PRECURSOR_M/Z 258.1085
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-0900000000-9acd2c17bcb5524b1c5f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  101.0603 273 11
  111.0459 21 1
  112.0505 24410 999
  112.0814 644 26
  112.099 255 10
  112.1196 22 1
  112.1266 42 2
  112.1483 366 15
  112.1878 74 3
  112.2272 31 1
  112.2568 26 1
  112.2826 21 1
  112.3339 28 1
  112.3391 28 1
  112.4011 57 2
  112.4144 23 1
  112.4391 22 1
  112.4817 22 1
  112.5322 35 1
  112.574 28 1
  112.6218 24 1
  112.7047 23 1
  112.7267 22 1
  112.7747 30 1
  113.0027 22 1
  113.0559 40 2
  113.084 23 1
  115.0362 39 2
  129.0537 21 1
//