ACCESSION: MSBNK-EPA-ENTACT_AGILENT001262
RECORD_TITLE: N,N-Dimethyloctanamide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N-Dimethyloctanamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₁NO
CH$EXACT_MASS: 171.1623142996
CH$SMILES: CCCCCCCC(=O)N(C)C
CH$IUPAC: InChI=1S/C10H21NO/c1-4-5-6-7-8-9-10(12)11(2)3/h4-9H2,1-3H3
CH$LINK: CAS 1118-92-9
CH$LINK: INCHIKEY VHRUBWHAOUIMDW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14240

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$FOCUSED_ION: PRECURSOR_M/Z 172.1695907513
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0007-9000000000-b3d2eb1d0e7693bf5ef7
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  29.038577 2.982721 29
  31.041651 1.261006 12
  39.022927 5.334779 53
  41.038577 99.999997 999
  42.033826 1.136195 11
  43.017841 8.340748 83
  43.054227 71.867779 717
  44.049476 66.427028 663
  45.057301 46.48061 464
  46.065126 73.542012 734
  55.017841 6.506057 64
  55.041651 1.432499 14
  55.054227 9.336335 93
  57.033491 6.300492 62
  57.069877 44.44523 444
  58.02874 2.901243 28
  67.054227 2.198825 21
  72.04439 34.730796 346
  72.080776 2.060687 20
  87.067865 3.338143 33
  100.07569 5.97713 59
//