MassBank Record: KO000141



 Acyclovir; 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: KO000141
RECORD_TITLE: Acyclovir; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 224 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-05nf-4900000000-10d8c1e33c5d46d6ff80 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 41.000 396040.0 75 42.300 123762.5 23 59.000 202970.5 39 60.100 24752.5 5 65.200 544555.0 103 66.100 415842.0 79 67.400 292079.5 55 78.800 49505.0 9 80.400 59406.0 11 82.000 183168.5 35 89.800 74257.5 14 91.900 5262381.5 999 93.300 54455.5 10 93.900 84158.5 16 95.000 49505.0 9 96.100 34653.5 7 105.000 89109.0 17 106.000 2227725.0 423 107.100 470297.5 89 107.900 1450496.5 275 118.000 84158.5 16 119.100 3178221.0 603 120.000 1376239.0 261 121.900 29703.0 6 124.900 148515.0 28 130.600 14851.5 3 133.100 2905943.5 552 134.900 207921.0 39 144.100 163366.5 31 149.100 925743.5 176 150.100 950496.0 180 162.000 301980.5 57 182.000 99010.0 19 //