ACCESSION: MSBNK-EPA-ENTACT_AGILENT001547
RECORD_TITLE: AVE9423; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: AVE9423
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₁₂Cl₂F₂N₂O₅
CH$EXACT_MASS: 504.0091333291
CH$SMILES: OC(=O)C1=CC=CC=C1N1C=C(C(=O)C2C=C(NC3C(Cl)=CC(F)=CC=3F)C(Cl)=CC1=2)C(O)=O
CH$IUPAC: InChI=1S/C23H12Cl2F2N2O5/c24-14-8-19-12(7-17(14)28-20-15(25)5-10(26)6-16(20)27)21(30)13(23(33)34)9-29(19)18-4-2-1-3-11(18)22(31)32/h1-9,28H,(H,31,32)(H,33,34)
CH$LINK: CAS 862243-29-6
CH$LINK: INCHIKEY OEMJXSVJXPIFMA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:24798733

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$FOCUSED_ION: PRECURSOR_M/Z 503.0018568774
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a59-0009000000-3c640944f577d678347c
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  34.969401 16.598487 165
  146.981858 1.475435 14
  267.0364 1.165862 11
  274.010994 1.157672 11
  275.061077 1.850147 18
  283.007505 2.440543 24
  289.058278 4.210108 42
  290.066103 1.124749 11
  295.068843 5.054464 50
  302.006395 18.278235 182
  303.011053 2.020621 20
  303.056386 4.004766 40
  305.028728 6.47833 64
  306.036066 2.192337 21
  314.066103 6.23607 62
  315.073928 9.448585 94
  317.977013 13.086318 130
  318.98467 6.174914 61
  322.055477 1.616871 16
  323.062615 17.231466 172
  324.066617 1.406896 14
  325.034956 2.618281 26
  330.036553 6.422372 64
  331.044378 35.749005 357
  332.047893 2.970214 29
  333.023642 1.080681 10
  338.990898 14.101304 140
  339.029897 2.394741 23
  342.061018 10.133905 101
  343.068843 47.060862 470
  344.072845 5.583861 55
  351.050606 12.130084 121
  358.031467 10.145935 101
  359.039292 99.999999 999
  360.043295 8.411671 84
  361.034956 1.165301 11
  362.042781 1.084241 10
  367.021056 4.941771 49
  377.002725 3.636647 36
  377.029871 14.453766 144
  378.011206 2.013847 20
  378.035016 2.229198 22
  379.045521 3.465121 34
  382.980728 7.744468 77
  389.006548 1.116526 11
  395.017113 3.655486 36
  421.0197 1.979548 19
//