MassBank Record: KO000521



 Cytosine arabinoside; 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: KO000521
RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 242 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-0900000000-4b5b14f0a5467db173b6 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 42.200 311881.5 17 67.200 29703.0 2 70.700 14851.5 1 81.100 410891.5 22 82.200 29703.0 2 85.000 49505.0 3 91.000 336634.0 18 93.700 14851.5 1 96.000 9901.0 1 99.300 44554.5 2 100.800 59406.0 3 107.900 24752.5 1 109.200 18311899.5 999 110.100 3242577.5 177 111.300 24752.5 1 119.200 34653.5 2 121.900 24752.5 1 126.200 34653.5 2 139.200 19802.0 1 151.800 564357.0 31 161.500 29703.0 2 163.700 19802.0 1 181.900 29703.0 2 198.300 34653.5 2 199.300 178218.0 10 209.400 44554.5 2 210.300 89109.0 5 242.100 2034655.5 111 //