ACCESSION: MSBNK-EPA-ENTACT_AGILENT001501
RECORD_TITLE: 1,3-Benzenedicarboxylic acid, dihydrazide; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0002-1900000000-4913f875387dcf624146
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  31.029075 1.36196 13
  45.033491 2.758631 27
  59.023989 11.476739 114
  77.038577 1.305766 13
  79.017841 5.564894 55
  89.059706 1.199344 11
  90.033826 2.554954 25
  92.049476 1.489144 14
  105.033491 2.291395 22
  118.02874 3.711223 37
  119.060375 2.833323 28
  120.04439 2.825282 28
  133.039639 1.005516 10
  137.070939 20.323773 203
  146.023655 9.290572 92
  160.050538 4.382675 43
  163.050204 17.500212 174
  177.077087 42.102877 420
  178.061103 2.53048 25
  195.087652 100.000001 999
//