ACCESSION: MSBNK-EPA-ENTACT_AGILENT001148
RECORD_TITLE: Diallyldimethylammonium; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-05ac-9000000000-055d112f404b2fe64bc4
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39.022927 1.351271 13
  41.038577 29.711445 296
  42.033826 17.783443 177
  42.046402 19.513032 194
  43.041651 8.550682 85
  44.049476 1.873752 18
  58.065126 48.869395 488
  59.072951 26.288368 262
  70.065126 31.829215 317
  71.072951 30.726282 306
  82.065126 1.225078 12
  83.072951 2.82405 28
  84.080776 62.108571 620
  85.088601 100.000004 999
  86.096426 21.425213 214
  127.135551 4.438612 44
//