ACCESSION: MSBNK-EPA-ENTACT_AGILENT001414
RECORD_TITLE: Temafloxacin; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Temafloxacin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₁₈F₃N₃O₃
CH$EXACT_MASS: 417.1300260633
CH$SMILES: CC1CN(CCN1)C1=CC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O
CH$IUPAC: InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)
CH$LINK: CAS 108319-06-8
CH$LINK: INCHIKEY QKDHBVNJCZBTMR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:60021

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 418.137302515
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0002900000-aad9fb77c983f52c7e12
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  317.089624 2.799204 27
  331.105274 11.544791 115
  357.120924 1.028647 10
  374.147473 18.617846 185
  400.126738 100.000002 999
  418.137303 33.282333 332
//