MassBank Record: KO002017



 Zalcitabine; 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: KO002017
RECORD_TITLE: Zalcitabine; 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 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 210 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-237a0c1094225974a6e8 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 42.200 1158417.0 999 49.800 94059.5 81 51.600 24752.5 21 59.100 29703.0 26 64.800 99010.0 85 66.700 54455.5 47 67.100 311881.5 269 78.100 29703.0 26 80.100 103960.5 90 107.100 49505.0 43 //