MassBank Record: MSBNK-Waters-WA000549
ACCESSION: MSBNK-Waters-WA000549
RECORD_TITLE: Febarbamate; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Febarbamate
CH$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$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0159-0910000000-c89c00f7a7ad4c2e9afc
PK$ANNOTATION: m/z type
428 [M+Na]+
444 [M+K]+
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
103 27 27
104 8 8
105 208 208
106 380 380
107 20 20
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115 321 321
117 999 999
119 306 306
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121 8 8
128 20 20
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157 12 12
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271 20 20
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275 8 8
289 35 35
293 8 8
345 51 51
367 39 39
368 8 8
408 16 16
428 396 396
429 55 55
444 67 67
445 12 12
450 8 8
//
system version 2.2.6-SNAPSHOT