ACCESSION: MSBNK-EPA-ENTACT_AGILENT002209
RECORD_TITLE: 5-(5-Nitro-2-furyl)-1,3,4-oxadiazole-2-ol; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-016v-9000000000-a3f39f811f64b8c381a7
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41.998537 46.559522 465
  42.022347 1.112029 11
  45.993452 20.736402 207
  49.008374 50.737984 506
  50.003623 1.790595 17
  50.016199 10.850282 108
  51.995463 3.023817 30
  63.011448 1.24282 12
  65.003288 100.000003 999
  66.011113 10.169941 101
  77.003288 66.755403 666
  79.990378 8.193674 81
  80.014187 4.028133 40
  82.006028 21.628015 216
  92.998203 16.395716 163
  94.006028 3.384964 33
  110.000943 10.965945 109
  120.993117 5.124797 51
  124.004017 13.600496 135
  148.999265 10.966499 109
//