ACCESSION: MSBNK-EPA-ENTACT_AGILENT001405
RECORD_TITLE: Rhodamine 6G; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Rhodamine 6G
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₃₁N₂O₃⁺
CH$EXACT_MASS: 443.2334678706
CH$SMILES: CC1=CC2=C(C3C=C(C)C(=CC=3[O+]=C2C=C1NCC)NCC)C1C=CC=CC=1C(=O)OCC
CH$IUPAC: InChI=1S/C28H31N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29-30H,6-8H2,1-5H3/q+1
CH$LINK: CAS 989-38-8
CH$LINK: INCHIKEY BRIVWQJCHBUVLE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13806

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$FOCUSED_ION: PRECURSOR_M/Z 444.2407443223
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0000900000-9b7f629682d1d767d908
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
416.209444 9.197239 91
444.240744 100.000002 999
//