MassBank Record: MSBNK-Waters-WA000777
ACCESSION: MSBNK-Waters-WA000777
RECORD_TITLE: Ethyl Loflazepate; LC-ESI-Q; MS; POS; 75 V, 90 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$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0190000000-ef5d0eea0acf5caa6707
PK$ANNOTATION: m/z type
361 [M+H]+
383 [M+Na]+
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
109 12 12
122 12 12
123 8 8
133 12 12
138 12 12
140 55 55
142 16 16
163 8 8
166 141 141
167 8 8
168 63 63
207 8 8
209 12 12
211 106 106
212 12 12
214 16 16
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237 16 16
244 12 12
245 24 24
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248 8 8
254 24 24
259 999 999
260 98 98
261 372 372
262 51 51
263 8 8
269 8 8
287 67 67
289 110 110
290 12 12
291 31 31
300 8 8
361 24 24
363 8 8
383 43 43
385 16 16
//
system version 2.2.6-SNAPSHOT