ACCESSION: MSBNK-EPA-ENTACT_AGILENT000751
RECORD_TITLE: Dehydroabietylamine acetate; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-001l-4900000000-b8620f0b5e81b7786aaf
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41.038577 9.655739 96
  43.054227 44.090482 440
  55.054227 20.146642 201
  57.069877 2.957623 29
  69.069877 5.965358 59
  81.069877 1.13113 11
  83.085527 4.655609 46
  91.054227 13.26153 132
  105.069877 1.336205 13
  115.054227 3.499663 34
  116.062052 1.639226 16
  117.069877 15.488902 154
  127.054227 1.029705 10
  128.062052 7.054314 70
  129.069877 12.361247 123
  131.085527 99.999999 999
  133.101177 1.473826 14
  141.069877 1.005863 10
  142.077702 1.858327 18
  143.085527 14.447698 144
  145.101177 5.435869 54
  157.101177 2.547984 25
  159.116827 2.759622 27
  171.116827 2.225865 22
  173.132477 18.19866 181
  185.132477 4.781681 47
  199.148127 1.254795 12
//