ACCESSION: MSBNK-EPA-ENTACT_AGILENT001409
RECORD_TITLE: Rhodamine 6G; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-014i-0001900000-c4c7137f3e448169f725
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  328.157015 1.562445 15
  341.16484 1.277378 12
  342.172665 4.840989 48
  358.131194 1.400632 13
  386.162494 2.299664 22
  387.170319 10.573841 105
  388.178144 1.194655 11
  401.185969 1.354683 13
  415.201619 7.679412 76
  416.209444 100 999
  444.240744 12.335492 123
//