MassBank Record: MSBNK-BAFG-CSL2311109217
ACCESSION: MSBNK-BAFG-CSL2311109217
RECORD_TITLE: Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate; LC-ESI-QTOF; MS2; 130 V
DATE: 2023.11.10
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541
CH$NAME: Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C21H39NO4
CH$EXACT_MASS: 369.2879
CH$SMILES: CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC)C
CH$IUPAC: InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3
CH$LINK: CAS
82919-37-7
CH$LINK: INCHIKEY
OTCWVYFQGYOYJO-UHFFFAOYSA-N
AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 8.341 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 370.2952
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1
PK$SPLASH: splash10-00di-9000000000-cbbe129bbaaef40632e5
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
42.0475 11.1 145
44.064 1 13
56.0586 6.2 81
57.066 9 117
58.0745 0.8 10
65.0455 1.8 23
67.0607 3.2 41
69.0746 0.8 10
70.0715 8 104
71.0795 0.9 11
72.0872 76.4 999
77.0435 10.6 138
79.0593 8.9 116
81.0739 4.4 57
82.0697 1.2 15
91.0583 3.2 41
93.0733 1 13
98.0999 0.9 11
//
system version 2.2.8-SNAPSHOT