ACCESSION: MSBNK-EPA-ENTACT_AGILENT001223
RECORD_TITLE: CP-457677; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-457677
CH$NAME: DTXSID2047278
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₁FN₂O₃
CH$EXACT_MASS: 380.1536207516
CH$SMILES: CC(C)(O)C1C=CC(CNC(=O)C2=CC=CN=C2OC2C=CC(F)=CC=2)=CC=1
CH$IUPAC: InChI=1S/C22H21FN2O3/c1-22(2,27)16-7-5-15(6-8-16)14-25-20(26)19-4-3-13-24-21(19)28-18-11-9-17(23)10-12-18/h3-13,27H,14H2,1-2H3,(H,25,26)
CH$LINK: CAS 214535-77-0
CH$LINK: INCHIKEY UHBUSMAHWHZQKS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10407399

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 379.1463442999
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-2329000000-9396dec9048931939015
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41.998537 2.300635 22
  57.034588 11.665301 116
  93.022012 2.138861 21
  94.029837 21.566592 215
  95.030252 11.996388 119
  102.036066 3.708481 37
  121.016927 1.670626 16
  122.024752 33.652525 336
  135.082681 3.021901 30
  138.036066 2.005945 20
  172.056801 1.732624 17
  188.051716 11.581273 115
  198.072451 1.679167 16
  199.0677 1.152671 11
  213.046965 1.922358 19
  215.062615 1.082553 10
  240.119401 2.191775 21
  241.089698 2.349758 23
  241.110827 1.007866 10
  256.113173 2.414574 24
  258.129966 17.80423 177
  266.106076 1.735018 17
  267.113901 1.403141 14
  269.105742 5.778733 57
  272.109231 4.673965 46
  303.093915 6.213797 62
  335.156515 2.262753 22
  343.125215 9.945983 99
  361.13578 43.635725 435
  379.146344 99.999996 999
//