MassBank Record: KO000522



 Cytosine arabinoside; 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: KO000522
RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 242 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-3900000000-d85ae6c771dd9206c4c2 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 41.900 732674.0 114 44.700 14851.5 2 59.500 29703.0 5 67.100 148515.0 23 81.100 2242576.5 350 82.300 79208.0 12 84.300 19802.0 3 85.100 24752.5 4 88.400 29703.0 5 91.100 500000.5 78 98.700 59406.0 9 106.900 44554.5 7 108.100 44554.5 7 109.100 6396046.0 999 110.000 3108914.0 486 119.000 19802.0 3 123.200 29703.0 5 152.200 183168.5 29 242.100 49505.0 8 //