ACCESSION: MSBNK-EPA-ENTACT_AGILENT000342
RECORD_TITLE: Methyl red; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0ue9-1900000000-ef9f21019a7c7e12c31e
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  42.033826 37.67099 376
  44.049476 2.212033 22
  65.038577 3.296899 32
  68.049476 1.223197 12
  77.038577 23.490051 234
  78.046402 1.038441 10
  79.054227 19.701932 196
  80.049476 2.939251 29
  91.054227 15.259784 152
  92.049476 2.611575 26
  92.062052 4.103508 40
  93.057301 1.153311 11
  93.069877 5.813048 58
  94.065126 2.631106 26
  103.054227 4.643409 46
  104.049476 5.68395 56
  105.057301 21.528059 215
  115.054227 9.752449 97
  118.065126 4.70918 47
  119.072951 3.537595 35
  120.080776 33.523947 334
  127.054227 4.149172 41
  128.062052 1.676844 16
  129.069877 2.562617 25
  139.054227 4.008691 40
  140.049476 1.5134 15
  140.062052 2.036837 20
  141.069877 3.405621 34
  148.07569 55.898664 558
  148.120629 1.357478 13
  151.054227 11.413076 114
  152.062052 100.000003 999
  152.10699 2.524854 25
  152.1308 1.536537 15
  153.069877 74.766057 746
  153.114816 1.8158 18
  154.077702 6.927631 69
  155.085527 2.492738 24
  164.062052 1.146051 11
  165.069877 11.330551 113
  166.065126 52.442125 523
  166.110065 1.075525 10
  167.085527 2.362629 23
  168.056966 1.756485 17
  178.065126 4.767769 47
  179.049141 1.284749 12
  179.072951 3.115366 31
  180.056966 17.181499 171
  180.080776 65.673838 656
  180.125715 1.755694 17
  181.064791 8.669077 86
  181.088601 30.219643 301
  194.06004 2.263884 22
  194.096426 10.069763 100
  195.104251 6.717766 67
  196.112076 1.49364 14
  206.06004 1.688601 16
  207.067865 5.256324 52
  208.07569 28.310727 282
  209.083515 6.276311 62
  222.09134 12.985343 129
  223.099165 1.716803 17
//