ACCESSION: MSBNK-EPA-ENTACT_AGILENT002208
RECORD_TITLE: 5-(5-Nitro-2-furyl)-1,3,4-oxadiazole-2-ol; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5-(5-Nitro-2-furyl)-1,3,4-oxadiazole-2-ol
CH$NAME: DTXSID5020948
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₃N₃O₅
CH$EXACT_MASS: 197.0072702294
CH$SMILES: [O-][N+](=O)C1=CC=C(O1)C1=NN=C(O)O1
CH$IUPAC: InChI=1S/C6H3N3O5/c10-6-8-7-5(14-6)3-1-2-4(13-3)9(11)12/h1-2H,(H,8,10)
CH$LINK: CAS 2122-86-3
CH$LINK: INCHIKEY OWDANLZJJOCPBK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:16463

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 195.9999937777
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-7900000000-78ee856d3a944cf00865
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41.998537 24.045642 240
  45.993452 4.037508 40
  49.008374 12.096705 120
  50.016199 6.12736 61
  51.995463 1.163489 11
  65.003288 49.697904 496
  65.998537 1.416424 14
  66.011113 12.454547 124
  77.003288 21.797152 217
  79.990378 14.58598 145
  80.014187 17.684583 176
  82.006028 27.19345 271
  92.998203 22.712219 226
  94.006028 14.071402 140
  95.001277 3.551235 35
  110.000943 47.396622 473
  120.993117 18.987903 189
  122.012176 15.332619 153
  124.004017 51.488965 514
  148.999265 100.000004 999
  150.007091 1.343897 13
  166.002005 3.721659 37
  195.999994 43.2082 431
//