ACCESSION: MSBNK-EPA-ENTACT_AGILENT000752
RECORD_TITLE: Dehydroabietylamine acetate; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0079-0690000000-b41cf73cd7768e0e5516
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  83.085527 1.990178 19
  131.085527 2.234726 22
  159.116827 5.13632 51
  173.132477 61.749927 616
  185.132477 4.838416 48
  187.148127 4.21303 42
  213.163777 1.485268 14
  269.226377 4.049891 40
  286.252926 100 999
//