ACCESSION: MSBNK-EPA-ENTACT_AGILENT000765
RECORD_TITLE: N-Nitrosobis(2-oxopropyl)amine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Nitrosobis(2-oxopropyl)amine
CH$NAME: DTXSID2021022
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀N₂O₃
CH$EXACT_MASS: 158.0691422007
CH$SMILES: CC(=O)CN(CC(C)=O)N=O
CH$IUPAC: InChI=1S/C6H10N2O3/c1-5(9)3-8(7-11)4-6(2)10/h3-4H2,1-2H3
CH$LINK: CAS 60599-38-4
CH$LINK: INCHIKEY AKRYBBWYDSDZHG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:43371

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$FOCUSED_ION: PRECURSOR_M/Z 159.0764186524
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03xr-9000000000-c468f36ce94dd506d304
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  43.017841 1.511677 15
  45.992355 2.919769 29
  47.00018 24.105898 240
  47.984195 3.399789 33
  48.99202 25.279414 252
  58.065126 1.486476 14
  61.007276 14.030531 140
  62.015101 7.068317 70
  63.00767 12.215574 122
  63.994366 99.999996 999
  64.015495 16.073172 160
  64.026729 3.198492 31
  64.039305 1.718887 17
  65.002191 1.98724 19
  65.99744 93.26082 931
  66.021249 2.636474 26
  66.033826 1.49397 14
  79.017841 28.50173 284
  81.020915 25.907517 258
//