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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)

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: 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 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
//

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