ACCESSION: MSBNK-EPA-ENTACT_AGILENT001506
RECORD_TITLE: 1,3-Benzenedicarboxylic acid, dihydrazide; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0cfv-6900000000-304f70494899b2f3320b
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  31.029075 18.607102 185
  39.022927 2.288649 22
  45.033491 11.972909 119
  45.044725 1.102468 11
  59.00018 1.156668 11
  59.023989 79.820901 797
  59.049141 1.681623 16
  59.072951 2.143085 21
  61.007276 1.213716 12
  63.022927 4.061706 40
  65.038577 8.135095 81
  67.041651 1.203841 12
  75.022927 1.136126 11
  76.030752 3.156613 31
  77.038577 24.030628 240
  77.059706 1.609421 16
  79.017841 19.762054 197
  79.054227 5.365528 53
  80.049476 4.478486 44
  89.058363 2.187058 21
  90.033826 99.999997 999
  90.067531 1.828851 18
  91.054227 5.226098 52
  92.049476 13.041785 130
  92.069262 1.01525 10
  93.069877 2.632724 26
  99.044056 1.231579 12
  103.017841 2.040454 20
  104.025666 15.269016 152
  105.033491 29.791536 297
  106.02874 4.435737 44
  106.039974 1.875603 18
  107.049141 1.516455 15
  107.060375 2.268505 22
  108.055624 4.056669 40
  117.044725 3.006824 30
  118.02874 72.617558 725
  119.011413 1.098243 10
  119.036565 3.680828 36
  119.060375 18.228652 182
  120.04439 12.251466 122
  130.02874 3.424205 34
  132.055624 2.271833 22
  133.039639 9.536977 95
  135.044056 9.131907 91
  136.050538 4.934602 49
  136.063114 2.900866 28
  137.045787 1.208062 12
  137.070939 53.646831 535
  138.067531 1.516712 15
  145.039639 3.95559 39
  146.023655 62.913379 628
  150.053612 1.352196 13
  159.066523 4.956239 49
  160.050538 19.818768 197
  163.050204 50.361711 503
  177.077087 39.688669 396
  178.061103 1.272276 12
  195.087652 15.513781 154
//