MassBank Record: KO000142



 Acyclovir; 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: KO000142
RECORD_TITLE: Acyclovir; 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 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 224 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-05mo-9600000000-e25ed55283d7d66d80c5 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 41.000 509901.5 117 42.100 242574.5 56 49.800 39604.0 9 59.100 138614.0 32 65.000 1000001.0 230 66.200 698020.5 161 67.000 396040.0 91 77.900 44554.5 10 79.300 207921.0 48 80.000 89109.0 21 81.600 44554.5 10 82.100 89109.0 21 89.900 138614.0 32 92.100 4336638.0 999 92.900 34653.5 8 94.100 89109.0 21 105.200 59406.0 14 106.100 1574259.0 363 107.400 361386.5 83 108.100 881189.0 203 117.100 39604.0 9 117.800 49505.0 11 119.100 1000001.0 230 119.900 282178.5 65 125.000 59406.0 14 130.700 24752.5 6 133.200 1049506.0 242 148.900 128713.0 30 150.500 39604.0 9 162.200 39604.0 9 //