MassBank Record: WA001202



 Acyclovir; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001202
RECORD_TITLE: Acyclovir; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.09.27)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Acyclovir CH$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$LINK: CAS 59277-89-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.500 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0910000000-360d5094b7955358ee72 PK$ANNOTATION: m/z type 226 [M+H]+ 248 [M+Na]+ 264 [M+K]+ 451 [2M+H]+ PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 100 39 39 102 16 16 104 31 31 107 145 145 109 59 59 110 568 568 114 43 43 117 20 20 118 8 8 122 24 24 123 12 12 128 212 212 129 8 8 130 39 39 132 16 16 134 20 20 135 752 752 136 31 31 140 16 16 152 838 838 153 999 999 154 67 67 158 8 8 164 12 12 167 20 20 174 8 8 176 8 8 194 20 20 212 12 12 226 309 309 227 16 16 248 215 215 249 12 12 258 8 8 264 161 161 266 8 8 //