ACCESSION: MSBNK-EPA-ENTACT_AGILENT001248
RECORD_TITLE: 2-Amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole
CH$NAME: DTXSID2020058
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄N₄O₄
CH$EXACT_MASS: 196.0232546464
CH$SMILES: NC1=NN=C(O1)C1=CC=C(O1)[N+]([O-])=O
CH$IUPAC: InChI=1S/C6H4N4O4/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9)
CH$LINK: CAS 3775-55-1
CH$LINK: INCHIKEY VTWQUFUBSCXPOW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:77406

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$FOCUSED_ION: PRECURSOR_M/Z 195.0159781947
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0007-9000000000-8b5df4a08aa8a429f4ac
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  40.006697 1.049888 10
  41.003288 2.665662 26
  41.014522 5.873126 58
  41.998537 100.000001 999
  42.022347 2.330041 23
  45.993452 48.365779 483
  49.008374 11.158143 111
  50.003623 6.562717 65
  50.016199 4.26724 42
  52.019273 1.569882 15
  55.017596 9.718671 97
  63.011448 2.964064 29
  64.019273 22.309798 222
  64.988032 1.057984 10
  65.003288 16.671736 166
  65.027098 3.638686 36
  65.998537 2.715938 27
  66.011113 1.897085 18
  77.003288 23.092324 230
  79.006362 1.198272 11
  79.990378 1.0298 10
  80.014187 1.395689 13
  82.004685 49.333451 492
  89.998537 2.518081 25
  92.014187 10.525684 105
  93.009436 1.008693 10
  94.006028 1.92132 19
  105.009436 1.013104 10
  105.993452 1.119765 11
  108.009102 1.542921 15
  120.020335 1.924599 19
  121.02816 1.521911 15
  124.004017 4.310201 43
//