MassBank Record: KO000140



 Acyclovir; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000140
RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 224 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0uyi-1900000000-0930eb38cecf2a197001 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 41.000 103960.5 16 41.300 118812.0 19 59.100 128713.0 20 59.800 24752.5 4 61.300 19802.0 3 65.000 128713.0 20 66.300 366337.0 58 66.900 133663.5 21 82.100 99010.0 16 90.100 113861.5 18 92.000 2792082.0 440 93.300 39604.0 6 94.100 217822.0 34 95.000 99010.0 16 96.900 34653.5 5 106.100 673268.0 106 106.800 826733.5 130 108.200 1425744.0 225 110.900 24752.5 4 117.700 34653.5 5 119.000 3821786.0 603 119.800 2445547.0 386 124.300 89109.0 14 124.900 490099.5 77 133.100 2391091.5 377 133.800 24752.5 4 134.800 1267328.0 200 137.700 19802.0 3 144.100 118812.0 19 149.100 2272279.5 358 150.200 6336640.0 999 152.000 64356.5 10 152.400 54455.5 9 161.900 2876240.5 453 179.400 69307.0 11 180.800 133663.5 21 182.000 1138615.0 180 207.200 44554.5 7 222.300 44554.5 7 224.300 2836636.5 447 //