MassBank Record: MSBNK-Waters-WA000550
ACCESSION: MSBNK-Waters-WA000550
RECORD_TITLE: Febarbamate; LC-ESI-Q; MS; POS; 75 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$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-040r-0930200000-fdc8d2de4f1a5f5db5e6
PK$ANNOTATION: m/z type
406 [M+H]+
428 [M+Na]+
444 [M+K]+
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
106 137 137
107 12 12
113 372 372
114 20 20
115 51 51
117 533 533
119 341 341
120 12 12
129 39 39
131 20 20
132 20 20
133 63 63
134 298 298
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156 8 8
157 16 16
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159 8 8
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173 20 20
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178 27 27
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190 27 27
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216 8 8
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219 8 8
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234 67 67
235 12 12
243 8 8
261 8 8
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272 12 12
274 157 157
275 20 20
289 149 149
290 12 12
293 8 8
332 24 24
345 235 235
346 39 39
363 12 12
367 59 59
368 8 8
406 31 31
408 31 31
423 8 8
428 803 803
429 121 121
430 16 16
444 63 63
445 12 12
450 8 8
//
system version 2.2.6-SNAPSHOT