ACCESSION: MSBNK-EPA-ENTACT_AGILENT001565
RECORD_TITLE: AM580; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-014i-1980000000-e88591e5621af4dfde99
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  43.054227 1.233501 12
  57.069877 1.553151 15
  65.038577 2.153961 21
  69.069877 2.206947 22
  81.069877 1.021091 10
  91.054227 14.650717 146
  105.069877 7.413995 74
  108.04439 2.402217 23
  115.054227 1.600368 15
  116.062052 1.703814 17
  117.069877 3.309343 33
  118.041316 3.696418 36
  118.077702 1.234585 12
  119.085527 6.015635 60
  121.028406 5.314472 53
  129.069877 1.012952 10
  131.049141 8.108458 81
  131.085527 11.833577 118
  133.101177 1.817133 18
  136.039305 10.065034 100
  143.085527 1.624119 16
  145.064791 14.535715 145
  145.101177 12.856546 128
  146.072616 1.005801 10
  157.101177 2.650376 26
  159.080441 4.737915 47
  159.116827 4.063726 40
  164.034219 5.756471 57
  172.124652 11.045239 110
  187.148127 2.000675 19
  200.119567 10.548806 105
  215.143042 100 999
  254.08117 1.191134 11
  268.09682 1.447845 14
  282.11247 2.507798 25
//