ACCESSION: MSBNK-EPA-ENTACT_AGILENT001858
RECORD_TITLE: 4',5'-Dibromofluorescein; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-01pc-1004900000-d37d3ea6cabcf9832be1
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  78.918886 30.570171 305
  290.981487 1.676 16
  318.976401 1.040398 10
  333.963491 5.269783 52
  334.971316 12.50855 124
  360.950581 1.753633 17
  361.92202 2.171026 21
  361.958406 19.993317 199
  362.966231 61.850218 617
  363.974056 1.984883 19
  371.942756 1.011721 10
  441.884569 54.071041 540
  442.856008 1.327531 13
  442.892394 41.510925 414
  486.882223 99.999996 999
//