ACCESSION: MSBNK-RIKEN_ReSpect-PT106750
RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine, (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol; LC-ESI-QTOF; MS2
DATE: 2008.07.28
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$NAME: Vitamin L2
CH$NAME: MTA
CH$NAME: 5'-Deoxy-5'-Methylthioadenosine
CH$NAME: Thiomethyladenosine
CH$NAME: 5-Methylthioadenosine
CH$NAME: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Adenosine
CH$FORMULA: C₁₁H₁₅N₅O₃S
CH$EXACT_MASS: 297.338
CH$SMILES: CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O
CH$IUPAC: InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)
CH$LINK: CAS 2457-80-9
CH$LINK: INCHIKEY WUUGFSXJNOTRMR-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 298.09736

PK$SPLASH: splash10-000i-0900000000-d3bfbeb6fb95e3768ef6
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  119.0373 881.5 93
  136.0624 9517.0 999
  298.0974 984.2 103
//