ACCESSION: MSBNK-EPA-ENTACT_AGILENT000341
RECORD_TITLE: Methyl red; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Methyl red
CH$NAME: DTXSID1042154
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₅N₃O₂
CH$EXACT_MASS: 269.1164267453
CH$SMILES: CN(C)C1C=CC(=CC=1)/N=N/C1=CC=CC=C1C(O)=O
CH$IUPAC: InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+
CH$LINK: CAS 493-52-7
CH$LINK: INCHIKEY CEQFOVLGLXCDCX-WUKNDPDISA-N
CH$LINK: PUBCHEM CID:10303

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 270.123703197
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0fk9-0090000000-f4a5ffb5b826fcaee80c
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  148.07569 1.708462 17
  153.069877 2.809443 28
  181.088601 2.567744 25
  196.112076 3.706376 37
  209.083515 4.257385 42
  224.10699 3.413382 34
  252.113139 65.702943 656
  270.123703 99.999997 999
//