MassBank Record: WA000778



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

ACCESSION: WA000778
RECORD_TITLE: Ethyl Loflazepate; 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$NAME: Ethyl Loflazepate CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H14ClFN2O3 CH$EXACT_MASS: 360.06770 CH$SMILES: CCOC(=O)C(C(=O)1)N=C(c(c3)c(F)ccc3)c(c2)c(ccc(Cl)2)N1 CH$IUPAC: InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23) CH$LINK: CAS 29177-84-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 17.400 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: splash10-0bti-0092000000-9ee417187b4d8820fb9b PK$ANNOTATION: m/z type 361 [M+H]+ 383 [M+Na]+ PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 123 12 12 140 24 24 166 98 98 168 55 55 170 8 8 211 67 67 212 8 8 214 8 8 226 24 24 227 8 8 237 8 8 244 12 12 245 8 8 246 55 55 247 8 8 248 16 16 254 39 39 259 999 999 260 106 106 261 388 388 262 67 67 263 12 12 264 8 8 269 8 8 287 435 435 288 39 39 289 521 521 290 67 67 291 125 125 292 12 12 300 8 8 315 12 12 317 8 8 333 8 8 361 317 317 362 51 51 363 118 118 364 16 16 383 172 172 384 20 20 385 63 63 386 8 8 399 12 12 //