ACCESSION: MSBNK-EPA-ENTACT_AGILENT001481
RECORD_TITLE: Carabersat; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Carabersat
CH$NAME: DTXSID6047319
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₀FNO₄
CH$EXACT_MASS: 357.1376363346
CH$SMILES: CC(=O)C1C=C2C(NC(=O)C3C=CC(F)=CC=3)C(O)C(C)(C)OC2=CC=1
CH$IUPAC: InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)
CH$LINK: CAS 184653-84-7
CH$LINK: INCHIKEY RCLXAPJEFHPYEG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:193943

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$FOCUSED_ION: PRECURSOR_M/Z 356.1303598829
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-01p9-2910000000-0e570dcd28a506193b50
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  41.003288 8.757057 87
  41.998537 63.841452 637
  42.034923 1.053303 10
  81.034588 4.121493 41
  92.026763 3.575051 35
  93.034588 8.510343 85
  95.030252 16.684935 166
  117.022012 6.779629 67
  118.029837 5.349903 53
  120.022821 5.535791 55
  134.037328 1.030486 10
  135.045153 98.730567 986
  135.090092 3.859505 38
  135.106491 1.775841 17
  137.040817 24.311827 242
  138.036066 17.225459 172
  139.020081 1.859233 18
  145.016927 4.093397 40
  148.052978 2.731815 27
  159.045153 12.281294 122
  160.040402 100.000003 999
  160.089364 3.438707 34
  160.110493 1.990818 19
  161.040817 3.335922 33
  162.056052 35.550005 355
  163.041211 1.552988 15
  175.040068 1.458548 14
  175.056467 4.972713 49
  177.072117 15.332503 153
  189.092103 2.11566 21
  198.048642 1.025703 10
  199.076453 2.64176 26
  241.054455 5.683085 56
  242.06228 1.180751 11
  253.065888 2.174928 21
  256.076788 1.439091 14
  257.061946 3.21802 32
  271.076453 1.216114 12
  277.090841 3.470642 34
  282.057195 8.034901 80
  283.06502 10.89932 108
  284.072845 21.552681 215
  298.087352 1.406397 14
  320.109231 5.231208 52
  322.088495 1.601646 16
//