MassBank Record: KO002725



 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002725
RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D067

CH$NAME: 5'-Deoxy-5'-Methylthioadenosine CH$NAME: 5'-Deoxy-5'-(methylthio)adenosine CH$NAME: MTA CH$NAME: 5-Methylthioadenosine CH$NAME: Thiomethyladenosine CH$NAME: S-Methyl-5'-thioadenosine CH$NAME: Methylthioadenosine CH$NAME: 5'-Methylthioadenosine CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H15N5O3S CH$EXACT_MASS: 297.08956 CH$SMILES: CSC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 CH$IUPAC: InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 CH$LINK: CAS 2457-80-9 CH$LINK: CHEBI 17509 CH$LINK: KEGG C00170 CH$LINK: NIKKAJI J22.737D CH$LINK: PUBCHEM SID:3470 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 298 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-3900000000-39bebdcaa7ce2695465b PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 41.200 94059.5 1 43.000 34653.5 1 44.900 34653.5 1 46.900 79208.0 1 48.900 227723.0 2 55.200 297030.0 3 57.200 519802.5 5 61.000 16326749.0 169 68.900 1722774.0 18 70.900 292079.5 3 72.300 49505.0 1 72.800 99010.0 1 75.100 11905952.5 123 77.300 69307.0 1 81.900 29703.0 1 85.000 103960.5 1 86.900 183168.5 2 89.200 34653.5 1 90.900 103960.5 1 92.300 158416.0 2 94.200 2673270.0 28 96.000 19802.0 1 97.200 1782180.0 18 99.000 39604.0 1 103.200 435644.0 5 109.400 514852.0 5 119.200 8113869.5 84 127.000 39604.0 1 134.500 103960.5 1 136.100 96658512.5 999 137.100 599010.5 6 148.000 29703.0 1 182.300 39604.0 1 //