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MassBank Record: WA000554

Febarbamate; LC-ESI-Q; MS; POS; 15 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000554
RECORD_TITLE: Febarbamate; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Febarbamate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H27N3O6
CH$EXACT_MASS: 405.18999
CH$SMILES: CCCCOCC(OC(N)=O)CN(C(=O)1)C(=O)C(CC)(c(c2)cccc2)C(=O)N1
CH$IUPAC: InChI=1S/C20H27N3O6/c1-3-5-11-28-13-15(29-18(21)26)12-23-17(25)20(4-2,16(24)22-19(23)27)14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H2,21,26)(H,22,24,27)
CH$LINK: CAS 13246-02-1
CH$LINK: INCHIKEY QHZQILHUJDRDAI-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 16.710 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 15 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0001900000-2937c632788ea992dbdc
PK$ANNOTATION: m/z type
  406 [M+H]+
  428 [M+Na]+
  444 [M+K]+
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  345 157 157
  346 24 24
  362 8 8
  363 16 16
  406 999 999
  407 161 161
  408 24 24
  423 400 400
  424 63 63
  428 31 31
  444 43 43
  445 8 8
//

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