ACCESSION: MSBNK-EPA-ENTACT_AGILENT002071
RECORD_TITLE: Enadoline; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Enadoline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₂N₂O₃
CH$EXACT_MASS: 396.2412929025
CH$SMILES: CN(C1CCC2(CC1N1CCCC1)CCCO2)C(=O)CC1C=CC=C2OC=CC2=1
CH$IUPAC: InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3
CH$LINK: CAS 124378-77-4
CH$LINK: INCHIKEY JMBYBVLCYODBJQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:60768

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$FOCUSED_ION: PRECURSOR_M/Z 397.2485693542
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-002b-0009000000-046638f4e33a4bc2ca12
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  137.096091 1.235054 12
  168.138291 1.737415 17
  326.17507 71.935729 718
  326.235265 2.740539 27
  397.248569 99.999999 999
//