ACCESSION: MSBNK-EPA-ENTACT_AGILENT001228
RECORD_TITLE: CP-457677; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-000f-9710000000-0bc9ebf0024c17352732
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  41.998537 7.202939 71
  57.034588 14.133825 141
  66.034923 1.398108 13
  92.014187 1.741154 17
  93.022012 17.110124 170
  94.029837 100 999
  94.066223 1.708455 17
  95.030252 42.372723 423
  102.034923 10.485336 104
  110.041151 3.749255 37
  111.025167 1.879806 18
  117.072117 3.671842 36
  121.016927 1.103887 11
  122.024752 19.135127 191
  122.038471 11.504641 114
  134.024752 4.180867 41
  135.081539 39.128217 390
  136.020416 1.513223 15
  138.036066 2.203107 22
  140.050573 2.604052 26
  160.056801 2.181973 21
  161.040817 1.436042 14
  168.04663 1.777858 17
  172.056801 4.716071 47
  186.036066 1.976146 19
  188.051716 30.783732 307
  197.05205 1.111192 11
  198.072451 1.203612 12
  200.088101 1.001407 10
  213.046965 3.041564 30
  229.041879 1.188267 11
  240.119401 4.923463 49
  241.110827 1.04706 10
  248.095512 1.302889 13
  249.103337 1.248298 12
  250.087352 1.691602 16
  258.129966 5.306823 53
  266.106076 3.200297 31
  269.105742 1.102517 11
  343.125215 3.802598 37
  345.104479 1.057915 10
//