ACCESSION: MSBNK-EPA-ENTACT_AGILENT001859
RECORD_TITLE: 4',5'-Dibromofluorescein; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-000i-0000900000-28a643eeb86a0e6a33bd
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  78.918886 2.522671 25
  361.958406 1.017158 10
  362.966231 2.362744 23
  441.884569 3.398618 33
  442.892394 7.302452 72
  486.882223 99.999999 999
//