ACCESSION: MSBNK-EPA-ENTACT_AGILENT001146
RECORD_TITLE: Diallyldimethylammonium; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Diallyldimethylammonium
CH$NAME: DTXSID4027650
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆N⁺
CH$EXACT_MASS: 126.1282745178
CH$SMILES: C[N+](C)(CC=C)CC=C
CH$IUPAC: InChI=1S/C8H16N/c1-5-7-9(3,4)8-6-2/h5-6H,1-2,7-8H2,3-4H3/q+1
CH$LINK: CAS 48042-45-1
CH$LINK: INCHIKEY YIOJGTBNHQAVBO-UHFFFAOYSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 127.1355509695
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4l-9000000000-6316d4c93cd29ab13e40
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  30.033826 1.004432 10
  39.022927 16.161165 161
  40.030752 8.170748 81
  41.038577 35.846157 358
  42.033826 57.614393 575
  42.046402 37.681809 376
  43.041651 21.840744 218
  44.049476 10.215465 102
  45.057301 3.028063 30
  56.049476 2.426256 24
  57.057301 1.53347 15
  58.065126 99.999995 999
  59.072951 64.081767 640
  68.049476 3.043765 30
  69.057301 3.810751 38
  70.065126 10.391564 103
  71.072951 7.861072 78
  84.080776 8.581569 85
  85.088601 8.791833 87
//