MassBank MassBank Search Contents Download

MassBank Record: PT101400

Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QTOF; MS2

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

ACCESSION: PT101400
RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QTOF; MS2
DATE: 2008.07.24
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Adenine deoxyriboside
CH$NAME: 2'-Deoxy-A
CH$NAME: 9-(2-Deoxy-beta-D-ribofuranosyl)adenine
CH$NAME: (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CH$NAME: 2'-Deoxyadenosine monohydrate
CH$NAME: dA
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Adenosine
CH$FORMULA: C10H13N5O3
CH$EXACT_MASS: 251.246
CH$SMILES: C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O
CH$IUPAC: InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
CH$LINK: CAS 958-09-8
CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$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: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 252.10963

PK$SPLASH: splash10-0udi-0390000000-fba17d1430b371138db2
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  136.0631 622.4 391
  252.1096 1589.0 999
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze