ACCESSION: MSBNK-EPA-ENTACT_AGILENT001570
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 350.1761672201
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0536-1249000000-fdf8fea167088e72b9b5
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  41.998537 32.450504 324
  75.024024 2.926166 29
  92.050573 4.639868 46
  93.034588 3.3454 33
  118.029837 41.478215 414
  119.013853 6.49239 64
  137.024418 1.118254 11
  157.102274 1.622045 16
  162.019667 7.74273 77
  171.117924 3.44445 34
  187.149224 7.39048 73
  236.108088 4.292541 42
  237.115913 1.451496 14
  248.108088 5.367733 53
  249.115913 1.645333 16
  262.123738 3.227189 32
  263.131563 1.396786 13
  274.123738 1.872858 18
  276.139388 34.552061 345
  278.082267 1.148015 11
  278.191423 3.631719 36
  290.155038 68.151192 680
  291.162863 13.717071 137
  292.097917 11.014524 110
  293.105742 1.933806 19
  304.170688 1.624499 16
  306.113567 3.890777 38
  306.126143 2.103071 21
  306.186338 99.999998 999
  307.121392 2.074799 20
  318.113567 1.640589 16
  320.129217 52.31669 522
  334.144867 93.512506 934
  335.152692 6.719987 67
  350.176167 40.159026 401
//