ACCESSION: MSBNK-EPA-ENTACT_AGILENT001503
RECORD_TITLE: 1,3-Benzenedicarboxylic acid, dihydrazide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,3-Benzenedicarboxylic acid, dihydrazide
CH$NAME: DTXSID2038813
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀N₄O₂
CH$EXACT_MASS: 194.0803755932
CH$SMILES: NNC(=O)C1=CC(=CC=C1)C(=O)NN
CH$IUPAC: InChI=1S/C8H10N4O2/c9-11-7(13)5-2-1-3-6(4-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)
CH$LINK: CAS 2760-98-7
CH$LINK: INCHIKEY UTTHLMXOSUFZCQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:72700

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$FOCUSED_ION: PRECURSOR_M/Z 195.0876520449
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-002f-9100000000-6c23985ee9b9a65a6c1a
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  31.029075 6.738734 67
  39.022927 7.183268 71
  43.029075 1.177466 11
  45.033491 7.117972 71
  47.00018 3.044513 30
  50.015101 1.731253 17
  51.022927 7.609219 76
  53.038577 4.393148 43
  56.024324 1.275746 12
  59.023989 6.799844 67
  62.015101 1.217602 12
  63.022927 37.227123 371
  63.994366 3.412188 34
  64.018175 7.798936 77
  65.038577 8.360918 83
  75.022927 3.748577 37
  76.030752 46.139493 460
  77.038577 47.774633 477
  78.033826 6.086439 60
  78.042379 4.296356 42
  79.017841 3.468252 34
  80.049476 11.42558 114
  90.033826 99.999997 999
  90.067531 1.599307 15
  90.089998 1.013071 10
  91.041651 2.485165 24
  91.054227 2.184725 21
  92.049476 3.858333 38
  93.032149 1.150176 11
  102.033826 3.625683 36
  103.017841 3.331143 33
  104.025666 17.325115 173
  104.045453 1.420512 14
  105.032149 4.932179 49
  105.044725 3.985517 39
  106.02874 1.430074 14
  107.049141 3.360185 33
  108.055624 5.452795 54
  118.027398 2.976911 29
  119.012756 1.189496 11
  130.027398 1.88225 18
  163.050204 1.269001 12
//