MassBank Record: KO000139



 Acyclovir; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000139
RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 224 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-0290000000-9410504409e66bcd08f9 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 59.100 59406.0 2 80.800 14851.5 1 92.200 178218.0 5 93.100 24752.5 1 106.700 64356.5 2 108.100 138614.0 4 118.900 173267.5 5 119.400 212871.5 6 125.100 54455.5 2 133.200 133663.5 4 134.900 297030.0 9 140.700 49505.0 1 142.000 123762.5 4 150.100 3198023.0 95 151.600 24752.5 1 162.000 2376240.0 71 163.900 24752.5 1 179.600 34653.5 1 181.300 168317.0 5 182.000 519802.5 15 206.300 29703.0 1 222.300 59406.0 2 224.200 33628746.5 999 //