MassBank Record: KO002606



 Cytosine arabinoside; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002606
RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 244 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-7900000000-ae3ff52581cbe6141064 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 43.200 188119.0 10 45.200 103960.5 6 55.100 381188.5 20 57.400 381188.5 20 61.000 94059.5 5 67.000 366337.0 20 67.900 381188.5 20 69.200 3341587.5 179 70.200 103960.5 6 71.000 371287.5 20 72.900 138614.0 7 76.900 69307.0 4 79.000 118812.0 6 80.900 59406.0 3 83.500 49505.0 3 85.100 108911.0 6 91.300 148515.0 8 94.200 2108913.0 113 95.200 7599017.5 408 96.800 89109.0 5 102.100 19802.0 1 110.300 74257.5 4 111.600 311881.5 17 112.200 18599028.5 999 119.100 14851.5 1 130.200 118812.0 6 134.800 123762.5 7 143.000 64356.5 3 158.100 49505.0 3 159.100 94059.5 5 //