ACCESSION: MSBNK-EPA-ENTACT_AGILENT001857
RECORD_TITLE: 4',5'-Dibromofluorescein; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4',5'-Dibromofluorescein
CH$NAME: DTXSID7024904
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₀Br₂O₅
CH$EXACT_MASS: 487.8894992305
CH$SMILES: OC1C=CC2=C(OC3=C(C=CC(O)=C3Br)C32OC(=O)C2=CC=CC=C32)C=1Br
CH$IUPAC: InChI=1S/C20H10Br2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
CH$LINK: CAS 596-03-2
CH$LINK: INCHIKEY ZDTNHRWWURISAA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11689

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$FOCUSED_ION: PRECURSOR_M/Z 486.8822227788
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-01u0-6009000000-a1858e958ae164164c83
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  78.918886 100.000002 999
  227.050238 2.356282 23
  255.045153 2.457755 24
  256.052978 3.684579 36
  333.963491 44.962882 449
  334.971316 11.073195 110
  360.950581 15.044497 150
  361.92202 1.798588 17
  361.958406 13.260896 132
  362.966231 48.678474 486
  440.876743 2.566483 25
  441.884569 4.559994 45
//