ACCESSION: MSBNK-EPA-ENTACT_AGILENT000829
RECORD_TITLE: 2,3-Diaminotoluene; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,3-Diaminotoluene
CH$NAME: DTXSID4027494
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀N₂
CH$EXACT_MASS: 122.0843983338
CH$SMILES: CC1C=CC=C(N)C=1N
CH$IUPAC: InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
CH$LINK: CAS 2687-25-4
CH$LINK: INCHIKEY AXNUJYHFQHQZBE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17593

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$SPLASH: splash10-0fb9-9000000000-e88e7b80af9a991af8b2
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39.022927 6.873003 68
  50.015101 1.230961 12
  51.022927 62.085458 620
  53.038577 14.396745 143
  54.033826 3.39915 33
  63.022927 2.962244 29
  65.038577 1.300226 12
  66.033826 2.231001 22
  66.046402 2.3679 23
  67.041651 3.97411 39
  77.038577 100.000003 999
  78.033826 1.206112 12
  78.046402 3.486458 34
  79.054227 9.126538 91
  80.049476 10.775645 107
  81.057301 2.208745 22
  91.041651 2.089462 20
  106.065126 3.277343 32
  107.060375 2.069153 20
  108.0682 1.707346 17
//