ACCESSION: MSBNK-EPA-ENTACT_AGILENT002249
RECORD_TITLE: Ro 23-7637; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Ro 23-7637
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₃H₄₀N₂O
CH$EXACT_MASS: 480.3140639131
CH$SMILES: O=C(CCCCCCCCC1C=CC=NC=1)N1CCC(CC1)C=C(C1C=CC=CC=1)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C33H40N2O/c36-33(20-12-4-2-1-3-7-14-29-15-13-23-34-27-29)35-24-21-28(22-25-35)26-32(30-16-8-5-9-17-30)31-18-10-6-11-19-31/h5-6,8-11,13,15-19,23,26-28H,1-4,7,12,14,20-22,24-25H2
CH$LINK: CAS 107071-66-9
CH$LINK: INCHIKEY NHKWRRHZTGQJMT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:129491

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$FOCUSED_ION: PRECURSOR_M/Z 481.3213403648
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0000900000-ee91c51c64d23ced1abc
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  218.153941 1.743302 17
  264.174676 1.538553 15
  481.32134 99.999997 999
//