MassBank Record: KO000138



 Acyclovir; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000138
RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:10 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 A071

CH$NAME: Acyclovir CH$NAME: Aciclovir CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H11N5O3 CH$EXACT_MASS: 225.08619 CH$SMILES: OCCOCn(c2)c(N1)c(n2)C(=O)N=C(N)1 CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15) CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J CH$LINK: PUBCHEM SID:9029
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 224 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-0090000000-59599385810ae2952ce5 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 141.400 113861.5 2 141.800 326733.0 5 150.200 39604.0 1 162.300 39604.0 1 224.200 63401053.5 999 //