ACCESSION: MSBNK-EPA-ENTACT_AGILENT000340
RECORD_TITLE: Methyl red; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0udi-0890000000-83945b90d2ad85105254
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  42.033826 1.733129 17
  44.049476 1.086255 10
  115.054227 1.283406 12
  120.080776 1.651922 16
  141.069877 1.297079 12
  148.07569 19.093192 190
  152.062052 5.339042 53
  153.069877 38.780264 387
  155.085527 2.775752 27
  165.069877 4.48372 44
  166.065126 2.424308 24
  166.077702 1.60578 16
  167.085527 1.683034 16
  180.056966 4.568663 45
  180.080776 9.472289 94
  181.063449 6.499863 64
  181.088601 32.79622 327
  183.080441 1.06275 10
  194.096426 4.819731 48
  195.104251 2.955314 29
  196.112076 33.545083 335
  208.07569 5.405333 53
  209.083515 42.179224 421
  222.09134 10.016774 100
  223.099165 6.399819 63
  224.10699 19.349669 193
  252.113139 100.000004 999
  270.123703 7.153831 71
//