ACCESSION: MSBNK-BAFG-CSL23111011812
RECORD_TITLE: Bis(1,2,2,6,6-pentamethyl-4-piperidyl) sebacate; LC-ESI-QTOF; MS2; 60 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$NAME: Bis(1,2,2,6,6-pentamethyl-4-piperidyl) sebacate
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C₃₀H₅₆N₂O₄
CH$EXACT_MASS: 508.424
CH$SMILES: CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C
CH$IUPAC: InChI=1S/C30H56N2O4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24/h23-24H,11-22H2,1-10H3
CH$LINK: CAS 41556-26-7
CH$LINK: INCHIKEY RSOILICUEWXSLA-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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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 6.48 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 509.4313
MS$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$SPLASH: splash10-00di-9100000000-ec9f4ce9dc9710f3fb33
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  42.0342 0.5 17
  67.0541 0.8 28
  70.0645 0.7 24
  72.0811 28.1 999
  79.0558 0.9 31
  81.0697 5.8 206
  95.0859 1.3 46
  98.0967 4.9 174
  123.1173 3.9 138
  154.1605 1.5 53
  356.2825 1 35
  509.4366 0.6 21
//