MassBank Record: KO002016



 Zalcitabine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002016
RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 210 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9200000000-60a00651a71121843a19 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 42.200 2099012.0 999 42.600 14851.5 7 46.200 44554.5 21 50.400 29703.0 14 51.600 29703.0 14 59.000 148515.0 71 65.100 84158.5 40 66.200 24752.5 12 67.000 430693.5 205 68.900 44554.5 21 79.000 34653.5 16 79.900 376238.0 179 93.300 19802.0 9 95.900 19802.0 9 107.400 1024753.5 488 122.900 24752.5 12 126.000 19802.0 9 149.000 19802.0 9 //