MassBank Record: KO002015



 Zalcitabine; 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: KO002015
RECORD_TITLE: Zalcitabine; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 210 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4l-7900000000-628c9e8f6a131581a8d4 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 42.200 3039607.0 629 45.700 44554.5 9 58.100 34653.5 7 58.800 103960.5 22 65.300 34653.5 7 67.000 712872.0 148 69.000 24752.5 5 73.400 44554.5 9 78.100 24752.5 5 78.800 79208.0 16 80.200 336634.0 70 93.200 69307.0 14 96.100 74257.5 15 106.400 49505.0 10 107.100 4826737.5 999 110.400 59406.0 12 125.900 415842.0 86 127.700 14851.5 3 130.500 34653.5 7 136.800 19802.0 4 149.000 84158.5 17 166.900 277228.0 57 167.700 19802.0 4 209.400 19802.0 4 //