ACCESSION: MSBNK-EPA-ENTACT_AGILENT001416
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 416.1227496116
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0ue9-0093000000-248ce37d6f82c8920d71
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  234.036066 7.425821 74
  254.042294 99.999999 999
  254.103632 1.35644 13
  255.048976 6.066898 60
  268.056801 3.650914 36
  281.054336 1.085635 10
  282.061018 82.112602 820
  282.1248 1.07298 10
  283.0677 1.439352 14
  295.068843 2.098788 20
  308.076668 1.781445 17
  322.092318 1.84895 18
  332.120464 3.268537 32
  352.126692 39.426923 393
  371.125095 2.196089 21
  372.078993 1.025654 10
  372.13292 30.810977 307
//