ACCESSION: MSBNK-EPA-ENTACT_AGILENT000763
RECORD_TITLE: N-Nitrosobis(2-oxopropyl)amine; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0059-9000000000-4749c1f4ee2ca0f7f53c
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  47.00018 1.313042 13
  48.99202 1.451755 14
  58.065126 1.44191 14
  61.007276 6.720619 67
  62.015101 1.673682 16
  63.00767 6.184413 61
  63.994366 17.266926 172
  64.015495 2.629294 26
  65.99744 16.262876 162
  79.017841 99.999998 999
  79.054227 2.800417 27
  80.025666 2.108663 21
  81.020915 94.657481 945
  81.054621 2.864841 28
  81.065854 1.743496 17
  86.06004 4.621784 46
//