ACCESSION: MSBNK-EPA-ENTACT_AGILENT000830
RECORD_TITLE: 2,3-Diaminotoluene; ESI-QTOF; MS2; CE: 20; [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 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$SPLASH: splash10-056r-9700000000-afcec99584b0cc53933c
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39.022927 1.450832 14
  51.022927 2.59813 25
  66.033826 1.553932 15
  66.046402 2.594191 25
  67.041651 1.963323 19
  77.038577 63.189116 631
  78.033826 4.925906 49
  79.054227 97.470375 973
  80.049476 2.62215 26
  81.057301 1.254849 12
  96.080776 1.616298 16
  106.065126 99.999999 999
  107.072951 1.041632 10
  108.0682 19.689038 196
  122.08385 1.098225 10
  123.091675 29.999278 299
//