MassBank Record: WA001795



 Benserazide; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001795
RECORD_TITLE: Benserazide; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Benserazide CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H15N3O5 CH$EXACT_MASS: 257.10117 CH$SMILES: OCC(N)C(=O)NNCc(c1)c(O)c(O)c(O)c1 CH$IUPAC: InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18) CH$LINK: CAS 322-35-0
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.380 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0079-0920000000-d248ef29b29086342f61 PK$ANNOTATION: m/z type 280 [M+Na]+ 296 [M+K]+ PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 100 16 16 103 215 215 106 55 55 107 39 39 108 24 24 109 12 12 111 309 309 112 51 51 117 90 90 118 16 16 120 200 200 121 521 521 123 8 8 125 16 16 130 71 71 132 27 27 133 24 24 136 12 12 139 999 999 140 24 24 142 451 451 143 20 20 152 20 20 154 12 12 158 8 8 161 16 16 163 12 12 177 8 8 183 24 24 184 8 8 209 20 20 210 12 12 211 8 8 228 12 12 240 12 12 252 8 8 254 8 8 258 94 94 259 12 12 274 8 8 280 435 435 281 12 12 282 12 12 284 12 12 296 102 102 297 8 8 298 8 8 //