ACCESSION: MSBNK-EPA-ENTACT_AGILENT000685
RECORD_TITLE: 3,4-Diaminotoluene; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0fb9-9000000000-80a55724c907a2ca3d72
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  39.022927 5.789625 57
  41.026001 2.291109 22
  42.033826 1.600249 15
  50.015101 1.05213 10
  51.022927 54.606235 545
  52.018175 1.680764 16
  53.038577 10.259594 102
  54.033826 4.192414 41
  63.022927 8.340557 83
  64.030752 3.154386 31
  65.038577 1.927936 19
  66.033826 2.137402 21
  66.046402 1.671352 16
  67.041651 8.594516 85
  77.038577 100.000002 999
  78.033826 1.315107 13
  78.046402 2.562731 25
  79.054227 10.6176 106
  80.049476 13.24793 132
  81.057301 2.37384 23
  89.038577 1.789357 17
  91.041651 5.229468 52
  104.049476 1.933883 19
  106.065126 2.49934 24
  107.060375 2.748739 27
  108.0682 1.542698 15
//