MassBank Record: MSBNK-Waters-WA000553
ACCESSION: MSBNK-Waters-WA000553
RECORD_TITLE: Febarbamate; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Febarbamate
CH$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$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0009600000-864c9c47daabc6df219d
PK$ANNOTATION: m/z type
406 [M+H]+
428 [M+Na]+
444 [M+K]+
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
113 63 63
233 8 8
271 16 16
272 8 8
289 31 31
332 63 63
333 8 8
345 999 999
346 172 172
347 24 24
363 102 102
364 16 16
406 451 451
407 71 71
408 12 12
423 208 208
424 31 31
428 145 145
429 16 16
444 106 106
445 12 12
446 8 8
//