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ACCESSION
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5'-Deoxy-5'-Methylthioadenosine; MS2; Q-Tof; [M-H]-
2008.7.28 Copyright(C) 2009 Plant Science Center, RIKEN
Record Data
Tag | Sub Tag | Data |
---|---|---|
ACCESSION | PT206750 | |
RECORD_TITLE | 5'-Deoxy-5'-Methylthioadenosine; MS2; Q-Tof; [M-H]- | |
DATE | 2008.7.28 | |
AUTHORS | Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN. | |
COPYRIGHT | Copyright(C) 2009 Plant Science Center, RIKEN | |
COMMENTS | Build 1 2009/06/24 | |
COMMENTS | Acquisition and generation of the data is financially supported in part by CREST/JST. | |
STRUCTURE_FILE_NAME | N/A | |
CH$ NAME | 5'-Deoxy-5'-Methylthioadenosine | |
CH$ NAME | MTA | |
CH$ NAME | Vitamin L2 | |
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 |
CH$ COMPOUND_CLASS | CLASS2 | Nucleoside |
CH$ COMPOUND_CLASS | CLASS3 | Adenosine |
CH$ FORMULA | C11H15N5O3S | |
CH$ EXACT_MASS | 297.33 | |
CH$ LINK | CAS | 2457-80-9 |
CH$ SMILES | CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O | |
CH$ IUPAC | InChI=1/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)/t5-,7-,8-,11-/m1/s1/f/h12H2 | |
AC$ INSTRUMENT | Q-Tof Premier, Waters | |
AC$ INSTRUMENT_TYPE | N/A | |
AC$ ANALYTICAL_CONDITION | MS_TYPE | LC-Q-TOF/MS |
AC$ ANALYTICAL_CONDITION | IONIZATION | ESI |
AC$ ANALYTICAL_CONDITION | SOURCE_TEMPERATURE | 120 C |
AC$ ANALYTICAL_CONDITION | PRECURSOR_SELECTION | Q |
AC$ ANALYTICAL_CONDITION | FRAGMENTATION_EQUIPMENT | Q |
AC$ ANALYTICAL_CONDITION | FRAGMENTATION_METHOD | LOW-ENERGY CID |
AC$ ANALYTICAL_CONDITION | COLLISION_ENERGY | Ramp 5-45 V |
AC$ ANALYTICAL_CONDITION | SPECTRUM_TYPE | TOF |
AC$ ANALYTICAL_CONDITION | DATAFORMAT | Continuum |
AC$ ANALYTICAL_CONDITION | SOLVENT | CH3CN/H2O |
AC$ ANALYTICAL_CONDITION | MODE | NEGATIVE |
AC$ ANALYTICAL_CONDITION | CAPILLARY_VOLTAGE | 3.0 kV |
AC$ ANALYTICAL_CONDITION | SAMPLING_CONE | 35.0 V |
MS$ FOCUSED_ION | ION_TYPE | [M-H]- |
MS$ FOCUSED_ION | PRECURSOR_M/Z | 296.08176 |
PK$ NUM_PEAK | 3 | |
PK$ PEAK |
m/z int. rel.int. ![]() ![]() ![]()
107.036
28.74
108
134.0463
264
999
296.0818
35.31
133
|