MassBank Record: MSBNK-Waters-WA000781
ACCESSION: MSBNK-Waters-WA000781
RECORD_TITLE: Ethyl Loflazepate; LC-ESI-Q; MS; NEG; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
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$LINK: CAS
29177-84-2
CH$LINK: INCHIKEY
CUCHJCMWNFEYOM-UHFFFAOYSA-N
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 17.400 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-052u-0009000000-ac919a2d222259ca64f2
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
115 16 16
120 16 16
135 8 8
137 8 8
143 12 12
157 8 8
158 16 16
160 8 8
165 8 8
172 12 12
175 8 8
178 8 8
188 8 8
193 8 8
201 16 16
204 8 8
208 8 8
209 8 8
212 8 8
218 12 12
229 8 8
230 8 8
232 12 12
238 8 8
241 8 8
245 8 8
247 8 8
249 8 8
256 8 8
264 8 8
267 24 24
269 16 16
275 24 24
280 8 8
289 8 8
290 8 8
299 12 12
304 8 8
309 8 8
311 8 8
313 12 12
316 55 55
320 16 16
329 12 12
339 999 999
340 262 262
341 270 270
342 35 35
343 8 8
346 12 12
351 20 20
352 8 8
359 631 631
360 67 67
361 278 278
362 12 12
365 12 12
372 8 8
376 8 8
382 8 8
384 8 8
391 12 12
394 8 8
397 12 12
401 16 16
403 8 8
404 12 12
409 16 16
412 16 16
//