MassBank Record: KO002602



 Cytosine arabinoside; 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: KO002602
RECORD_TITLE: Cytosine arabinoside; 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 C119

CH$NAME: Cytosine arabinoside CH$NAME: Cytosine-1-beta-D-arabinofuranoside CH$NAME: Cytarabine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H13N3O5 CH$EXACT_MASS: 243.08552 CH$SMILES: OCC(O1)C(O)C(O)C1N(C=2)C(=O)N=C(N)C2 CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K CH$LINK: PUBCHEM SID:5877
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 244 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01ox-0790000000-270551529aa609aa9ce8 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 50.000 217822.0 2 53.800 14851.5 1 68.200 950496.0 9 73.700 14851.5 1 82.100 2074259.5 19 85.000 59406.0 1 86.300 138614.0 1 86.900 24752.5 1 95.000 128713.0 1 97.000 49505.0 1 100.000 490099.5 5 104.900 49505.0 1 106.200 1950497.0 18 108.300 29703.0 1 109.000 99010.0 1 109.600 24752.5 1 112.200 92302072.5 853 118.200 34653.5 1 120.300 34653.5 1 125.000 49505.0 1 132.800 49505.0 1 135.100 183168.5 2 135.900 34653.5 1 138.800 14851.5 1 146.300 34653.5 1 149.300 29703.0 1 151.000 34653.5 1 151.900 158416.0 1 153.100 831684.0 8 155.100 54455.5 1 167.200 49505.0 1 168.200 188119.0 2 174.600 311881.5 3 176.600 34653.5 1 179.800 64356.5 1 184.300 59406.0 1 185.100 79208.0 1 191.300 4400994.5 41 195.100 247525.0 2 198.300 44554.5 1 208.500 113861.5 1 209.400 1341585.5 12 212.500 128713.0 1 226.200 1876239.5 17 227.200 7004957.5 65 244.400 108079316.0 999 245.500 39604.0 1 //