MassBank Record: KO002213



 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: KO002213
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 226 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0390000000-079dc309c9ffbbde3375 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 50.300 549505.5 2 64.000 74257.5 1 67.900 1831685.0 8 74.900 39604.0 1 76.700 19802.0 1 82.000 4574262.0 20 86.400 138614.0 1 88.100 54455.5 1 90.000 84158.5 1 99.900 480198.5 2 104.400 19802.0 1 105.100 688119.5 3 105.700 727723.5 3 108.000 267327.0 1 108.400 74257.5 1 120.700 346535.0 2 122.300 54455.5 1 128.100 188119.0 1 133.200 19802.0 1 135.200 202970.5 1 135.900 267327.0 1 136.900 74257.5 1 148.500 24752.5 1 149.100 74257.5 1 150.300 311881.5 1 152.200 76371363.5 333 164.000 371287.5 2 166.200 153465.5 1 166.400 89109.0 1 176.000 29703.0 1 176.900 94059.5 1 185.000 14851.5 1 191.400 653466.0 3 192.700 24752.5 1 194.200 297030.0 1 208.400 103960.5 1 209.200 4386143.0 19 226.200 228836862.5 999 244.400 49505.0 1 271.300 9901.0 1 //