MassBank Record: KO002722



 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002722
RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 298 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0910000000-0c3d173f36272e3271eb PK$NUM_PEAK: 76 PK$PEAK: m/z int. rel.int. 50.000 173267.5 1 61.100 1108912.0 2 63.200 54455.5 1 68.200 321782.5 1 68.800 158416.0 1 71.300 34653.5 1 71.700 49505.0 1 72.400 9901.0 1 75.200 500000.5 1 76.800 34653.5 1 81.000 29703.0 1 82.100 410891.5 1 87.000 94059.5 1 89.300 54455.5 1 94.900 19802.0 1 97.000 5391094.5 12 100.100 29703.0 1 102.900 1737625.5 4 104.900 54455.5 1 106.800 287129.0 1 109.600 34653.5 1 111.300 103960.5 1 115.300 475248.0 1 118.000 188119.0 1 119.000 79208.0 1 121.000 49505.0 1 121.400 44554.5 1 124.400 19802.0 1 125.200 9901.0 1 126.900 108911.0 1 128.200 19802.0 1 132.700 29703.0 1 133.300 44554.5 1 134.200 103960.5 1 135.100 99010.0 1 136.000 444906385.5 999 137.100 49505.0 1 145.100 12534666.0 28 146.200 485149.0 1 148.400 29703.0 1 149.000 128713.0 1 150.300 128713.0 1 151.100 138614.0 1 152.100 79208.0 1 153.200 59406.0 1 162.200 79208.0 1 163.300 19678237.5 44 164.400 19802.0 1 168.300 44554.5 1 170.500 14851.5 1 176.200 19802.0 1 177.400 49505.0 1 178.100 123762.5 1 180.200 99010.0 1 181.400 69307.0 1 181.900 158416.0 1 190.100 39604.0 1 193.000 24752.5 1 199.400 94059.5 1 202.100 49505.0 1 206.200 133663.5 1 207.300 153465.5 1 207.900 79208.0 1 209.400 24752.5 1 217.500 128713.0 1 220.500 9901.0 1 232.600 29703.0 1 234.300 49505.0 1 235.200 34653.5 1 235.400 29703.0 1 238.300 534654.0 1 239.400 59406.0 1 266.000 29703.0 1 280.400 49505.0 1 281.300 69307.0 1 298.500 57108968.0 128 //