ACCESSION: MSBNK-EPA-ENTACT_AGILENT000753
RECORD_TITLE: Dehydroabietylamine acetate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Dehydroabietylamine acetate
CH$NAME: DTXSID1047102
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₁N
CH$EXACT_MASS: 285.2456499963
CH$SMILES: CC(C)C1C=CC2=C(CCC3C2(C)CCCC3(C)CN)C=1
CH$IUPAC: InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3
CH$LINK: CAS 2026-24-6
CH$LINK: INCHIKEY JVVXZOOGOGPDRZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:62418

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$FOCUSED_ION: PRECURSOR_M/Z 286.252926448
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0900000000-e97edc1a7f1e104908ee
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  43.054227 2.188427 21
  55.054227 2.563603 25
  69.069877 1.575916 15
  83.085527 5.420103 54
  97.101177 2.525957 25
  117.069877 2.353204 23
  123.116827 1.004725 10
  129.069877 1.072967 10
  131.085527 12.072617 120
  143.085527 1.990725 19
  145.101177 2.090821 20
  159.116827 9.927753 99
  171.116827 2.133358 21
  173.132477 99.999999 999
  185.132477 14.819933 148
  187.148127 4.884222 48
  199.148127 2.098852 20
  213.163777 2.224787 22
  269.226377 1.557891 15
  286.252926 4.453753 44
//