ACCESSION: MSBNK-EPA-ENTACT_AGILENT002373
RECORD_TITLE: 4,4'-Oxybis(benzenesulfohydrazide); ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4,4'-Oxybis(benzenesulfohydrazide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄N₄O₅S₂
CH$EXACT_MASS: 358.0405610477
CH$SMILES: NNS(=O)(=O)C1C=CC(=CC=1)OC1C=CC(=CC=1)S(=O)(=O)NN
CH$IUPAC: InChI=1S/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2
CH$LINK: CAS 80-51-3
CH$LINK: INCHIKEY NBOCQTNZUPTTEI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6649

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 357.033284596
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0apr-0920000000-c1c94ef233f5b0ed4872
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  63.962449 2.079252 20
  64.970274 1.40933 14
  92.025421 11.596563 115
  93.033246 19.877873 198
  108.020335 18.779982 187
  138.984581 5.099798 50
  155.987321 91.195372 911
  156.036282 1.735437 17
  156.995146 10.628208 106
  168.021678 1.617264 16
  168.057412 91.98782 918
  168.10166 1.807489 18
  169.064546 16.211287 161
  170.99822 3.104297 31
  184.052326 2.374458 23
  187.017596 99.999996 999
  187.067248 2.050933 20
  187.087687 1.034547 10
  215.016572 8.446971 84
  231.982235 2.3081 23
  232.019312 77.631645 775
  232.078816 1.473358 14
  233.026446 6.435426 64
  247.030862 2.336152 23
  296.989688 1.474535 14
//