ACCESSION: MSBNK-EPA-ENTACT_AGILENT002207
RECORD_TITLE: 5-(5-Nitro-2-furyl)-1,3,4-oxadiazole-2-ol; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00kb-9000000000-2e8976208bdf57b70bdb
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  37.008374 2.028105 20
  41.998537 57.960926 579
  42.022347 1.432161 14
  45.993452 49.082924 490
  46.017261 1.210417 12
  48.000549 1.295701 12
  49.008374 99.999997 999
  50.003623 2.304521 23
  50.016199 4.523864 45
  51.995463 2.876915 28
  63.011448 1.118525 11
  65.003288 75.891316 758
  66.009771 1.329356 13
  77.003288 23.570819 235
//