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MassBank Record: MSBNK-EPA-ENTACT_AGILENT000715

(2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanyl; ESI-QTOF; MS2; CE: 40; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000715
RECORD_TITLE: (2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanyl; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: (2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanyl
CH$NAME: DTXSID4044905
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H17NO2
CH$EXACT_MASS: 171.1259287943
CH$SMILES: CC1(C)CC(=O)CC(C)(C)N1O
CH$IUPAC: InChI=1S/C9H17NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h12H,5-6H2,1-4H3
CH$LINK: CAS 2896-70-0
CH$LINK: INCHIKEY KMEUSKGEUADGET-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:520789

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 172.133205246
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0ab9-9000000000-90b1257ca1681f0a2264
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  28.018175 2.047997 20
  39.022927 2.044346 20
  42.033826 26.468363 264
  43.017841 2.254678 22
  55.041651 1.399083 13
  55.054227 11.882807 118
  56.049476 99.15757 990
  56.070605 3.438314 34
  56.083181 1.762214 17
  57.057301 1.232245 12
  74.06004 100.000003 999
  74.096426 2.422034 24
  74.109002 1.24951 12
  77.038577 1.093737 10
//

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Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

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