MassBank Record: KO002604



 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: KO002604
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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 244 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-50671582f88f6b4d8cee PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 42.900 49505.0 1 45.000 44554.5 1 49.700 198020.0 2 55.100 326733.0 3 57.100 420792.5 3 59.300 69307.0 1 61.000 108911.0 1 67.000 108911.0 1 68.900 787129.5 6 69.800 64356.5 1 71.000 178218.0 1 73.300 361386.5 3 74.900 54455.5 1 75.400 19802.0 1 79.100 193069.5 2 81.100 113861.5 1 83.300 356436.0 3 85.300 415842.0 3 88.200 252475.5 2 93.000 287129.0 2 94.000 173267.5 1 95.100 1099011.0 9 97.000 470297.5 4 99.400 24752.5 1 100.700 14851.5 1 102.800 69307.0 1 106.000 698020.5 6 107.100 331683.5 3 109.400 193069.5 2 111.200 108911.0 1 112.200 122014973.5 999 115.100 69307.0 1 119.400 64356.5 1 120.800 39604.0 1 121.200 94059.5 1 125.000 49505.0 1 131.200 49505.0 1 133.400 84158.5 1 135.100 321782.5 3 139.600 34653.5 1 142.700 19802.0 1 149.200 143564.5 1 151.400 64356.5 1 152.100 564357.0 5 153.100 465347.0 4 159.200 79208.0 1 163.000 19802.0 1 174.400 1247526.0 10 179.800 24752.5 1 191.100 19802.0 1 195.700 49505.0 1 198.100 9901.0 1 227.000 24752.5 1 //