MassBank Record: KO000523



 Cytosine arabinoside; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000523
RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:40 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: Cytarabine CH$NAME: Cytosine-1-beta-D-arabinofuranoside CH$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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 242 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-06sl-9600000000-b154ca170372bcbf8a4a PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 26.000 19802.0 11 41.900 653466.0 359 59.400 19802.0 11 65.200 133663.5 73 66.600 84158.5 46 67.000 425743.0 234 71.500 14851.5 8 80.000 54455.5 30 81.200 1816833.5 999 82.200 118812.0 65 91.400 321782.5 177 106.900 24752.5 14 107.700 74257.5 41 109.300 1074258.5 591 110.400 1391090.5 765 //