MassBank Record: MSBNK-Waters-WA000779
ACCESSION: MSBNK-Waters-WA000779
RECORD_TITLE: Ethyl Loflazepate; LC-ESI-Q; MS; POS; 45 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 POSITIVE
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$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0049000000-743b8c02e1d64310aa9f
PK$ANNOTATION: m/z type
361 [M+H]+
383 [M+Na]+
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
166 8 8
246 8 8
259 102 102
260 12 12
261 39 39
262 12 12
287 270 270
288 20 20
289 302 302
290 39 39
291 67 67
292 8 8
317 8 8
333 12 12
361 999 999
362 157 157
363 372 372
364 55 55
383 129 129
384 16 16
385 43 43
386 8 8
399 35 35
401 16 16
//