ACCESSION: MSBNK-EPA-ENTACT_AGILENT001566
RECORD_TITLE: AM580; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: AM580
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₅NO₃
CH$EXACT_MASS: 351.1834436718
CH$SMILES: CC1(C)CCC(C)(C)C2C=CC(=CC1=2)C(=O)NC1C=CC(=CC=1)C(O)=O
CH$IUPAC: InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
CH$LINK: CAS 102121-60-8
CH$LINK: INCHIKEY SZWKGOZKRMMLAJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2126

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$FOCUSED_ION: PRECURSOR_M/Z 352.1907201235
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0249000000-1d99a0e75e9f984f36df
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  91.054227 2.239786 22
  105.069877 4.923965 49
  119.085527 5.590435 55
  133.101177 8.636184 86
  164.034219 5.507945 55
  215.143042 34.406322 343
  268.09682 4.60229 45
  282.11247 9.223716 92
  296.12812 3.921794 39
  352.19072 100.000001 999
//