ACCESSION: MSBNK-EPA-ENTACT_AGILENT001263
RECORD_TITLE: N,N-Dimethyloctanamide; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0aba-9300000000-ac76bdb88ab9ed8507db
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.038577 15.301725 152
  43.054227 33.356742 333
  44.049476 1.80728 18
  45.057301 3.109624 31
  46.065126 98.697235 985
  55.054227 3.605379 36
  57.033491 2.15862 21
  57.069877 100.000002 999
  57.114816 1.272974 12
  67.054227 3.602788 35
  71.049141 1.600508 15
  72.04439 17.235008 172
  87.067865 1.744047 17
  100.07569 1.14174 11
  102.09134 11.079383 110
  109.101177 1.903564 19
  116.10699 14.453834 144
  130.122641 4.289762 42
  172.169591 82.000877 819
//