MassBank Record: KO002723



 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002723
RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 298 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-f3443ca133811f52c5d7 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 49.000 69307.0 1 50.100 311881.5 1 57.100 163366.5 1 61.000 13168330.0 31 62.900 79208.0 1 67.900 34653.5 1 69.200 1306932.0 3 70.800 217822.0 1 71.900 54455.5 1 72.300 79208.0 1 75.200 8232681.5 19 77.000 59406.0 1 79.100 69307.0 1 82.900 19802.0 1 84.800 84158.5 1 87.000 495050.0 1 88.900 128713.0 1 90.100 34653.5 1 90.800 79208.0 1 91.300 19802.0 1 93.800 79208.0 1 97.100 10930704.0 25 98.800 79208.0 1 101.400 89109.0 1 103.000 4450499.5 10 104.800 34653.5 1 107.000 524753.0 1 109.300 24752.5 1 111.100 183168.5 1 115.000 688119.5 2 117.500 207921.0 1 118.500 74257.5 1 119.100 613862.0 1 123.400 34653.5 1 125.900 14851.5 1 127.100 267327.0 1 128.900 54455.5 1 134.100 34653.5 1 135.100 133663.5 1 136.100 430896470.5 999 144.600 242574.5 1 145.200 6282184.5 15 146.000 331683.5 1 148.800 64356.5 1 150.100 103960.5 1 151.000 158416.0 1 152.100 69307.0 1 154.000 24752.5 1 160.100 9901.0 1 162.200 99010.0 1 163.400 2287131.0 5 174.000 14851.5 1 175.500 24752.5 1 178.200 118812.0 1 182.100 277228.0 1 190.200 44554.5 1 199.000 29703.0 1 202.600 24752.5 1 207.200 19802.0 1 217.300 24752.5 1 234.400 29703.0 1 238.100 227723.0 1 249.100 14851.5 1 280.100 39604.0 1 298.500 470297.5 1 //