ACCESSION: MSBNK-EPA-ENTACT_AGILENT000686
RECORD_TITLE: 3,4-Diaminotoluene; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3,4-Diaminotoluene
CH$NAME: DTXSID9024930
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀N₂
CH$EXACT_MASS: 122.0843983338
CH$SMILES: CC1C=C(N)C(N)=CC=1
CH$IUPAC: InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
CH$LINK: CAS 496-72-0
CH$LINK: INCHIKEY DGRGLKZMKWPMOH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10332

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$FOCUSED_ION: PRECURSOR_M/Z 123.0916747855
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-056r-9700000000-87e21057d4ddd03efb0c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  51.022927 2.548719 25
  53.038577 1.319703 13
  54.033826 1.289108 12
  67.041651 1.261669 12
  77.038577 62.206114 621
  78.033826 3.034958 30
  79.054227 92.434248 923
  80.049476 5.317105 53
  81.057301 2.569061 25
  89.038577 1.676895 16
  91.041651 2.081223 20
  105.057301 1.236546 12
  106.065126 100.000004 999
  107.072951 1.556202 15
  108.0682 25.569804 255
  122.08385 2.682985 26
  123.091675 19.840894 198
//