MassBank Record: KO002721



 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002721
RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 298 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0090000000-72139812c5b2ede077ed PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 67.900 376238.0 1 82.000 1292080.5 2 86.300 138614.0 1 97.200 74257.5 1 99.900 653466.0 1 103.800 103960.5 1 114.400 19802.0 1 117.800 257426.0 1 121.000 74257.5 1 127.900 24752.5 1 136.100 44440638.5 76 145.100 524753.0 1 146.000 663367.0 1 147.400 39604.0 1 148.900 14851.5 1 151.400 44554.5 1 152.400 99010.0 1 158.000 24752.5 1 161.800 24752.5 1 163.200 4059410.0 7 166.400 19802.0 1 168.500 103960.5 1 178.000 44554.5 1 180.100 272277.5 1 181.400 79208.0 1 190.500 64356.5 1 202.300 103960.5 1 206.100 163366.5 1 207.500 277228.0 1 209.400 64356.5 1 212.300 44554.5 1 215.900 39604.0 1 217.500 178218.0 1 217.800 19802.0 1 220.800 29703.0 1 222.600 9901.0 1 234.400 529703.5 1 237.800 64356.5 1 238.300 128713.0 1 239.600 153465.5 1 243.900 34653.5 1 245.100 44554.5 1 249.200 69307.0 1 253.300 24752.5 1 254.100 34653.5 1 262.100 34653.5 1 266.200 163366.5 1 281.600 905941.5 2 298.500 585540189.5 999 316.300 59406.0 1 514.600 24752.5 1 //