ACCESSION: MSBNK-EPA-ENTACT_AGILENT002372
RECORD_TITLE: 4,4'-Oxybis(benzenesulfohydrazide); ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0059-0196000000-c1eb6889253a0b445a22
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  63.962449 1.21953 12
  64.970274 1.006121 10
  155.987321 1.1978 11
  169.065237 3.334197 33
  187.017596 22.558169 225
  232.019312 57.178355 571
  232.078816 1.278219 12
  233.026446 17.528087 175
  263.049587 31.818919 317
  295.980521 3.19912 31
  296.988346 25.38499 253
  327.011487 99.999994 999
//