MassBank Record: KO002014



 Zalcitabine; 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: KO002014
RECORD_TITLE: Zalcitabine; 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 Z001

CH$NAME: Zalcitabine CH$NAME: 2',3'-Dideoxycytidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H13N3O3 CH$EXACT_MASS: 211.09569 CH$SMILES: OCC(C2)OC(C2)N(C=1)C(=O)N=C(N)C1 CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E CH$LINK: PUBCHEM SID:9416
AC$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$FOCUSED_ION: PRECURSOR_M/Z 210 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-066r-2900000000-843d28df71eab94652c3 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 42.200 2410893.5 457 46.200 79208.0 15 59.200 69307.0 13 59.400 24752.5 5 64.800 19802.0 4 67.300 361386.5 68 78.700 44554.5 8 79.800 19802.0 4 81.500 9901.0 2 84.200 14851.5 3 86.800 24752.5 5 92.800 54455.5 10 96.000 193069.5 37 97.400 49505.0 9 107.000 3326736.0 630 108.800 39604.0 8 110.500 89109.0 17 114.200 29703.0 6 119.900 34653.5 7 126.000 1589110.5 301 127.800 148515.0 28 128.200 178218.0 34 130.500 24752.5 5 138.000 44554.5 8 140.700 14851.5 3 149.100 198020.0 38 167.100 5272282.5 999 176.900 79208.0 15 210.100 618812.5 117 //