ACCESSION: MSBNK-EPA-ENTACT_AGILENT001246
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 197.0305310981
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0f89-9200000000-d47283d4b40b1e7985ee
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  41.026001 13.070313 130
  42.008673 1.110024 11
  42.021249 2.030937 20
  44.01309 1.077508 10
  52.018175 9.159638 91
  52.030752 5.023898 50
  53.026001 14.284906 142
  54.010016 83.516215 834
  54.033826 6.959092 69
  55.041651 3.243543 32
  64.018175 2.176974 21
  67.017841 1.666221 16
  68.024324 1.525793 15
  68.0369 16.991454 169
  68.997106 1.458257 14
  69.992355 1.679619 16
  78.010016 8.170079 81
  78.018569 4.364585 43
  79.017841 6.909847 69
  80.0369 23.962238 239
  81.020915 4.272083 42
  82.004931 99.999994 999
  82.039974 2.094464 20
  93.020915 4.506242 45
  94.013484 1.241878 12
  94.02874 6.750825 67
  95.008733 1.047305 10
  95.035223 2.070592 20
  95.047799 1.385361 13
  96.020581 6.352288 63
  96.031814 5.082518 50
  106.016164 1.406036 14
  107.023989 3.657156 36
  108.008005 1.897917 18
  108.031814 20.177049 201
  109.01583 1.036688 10
  111.042713 6.749843 67
  123.042713 25.379176 253
  134.011079 5.276971 52
  139.013818 2.049026 20
  151.037628 7.945546 79
  154.024717 4.835567 48
  169.035616 1.455386 14
  180.003982 19.888552 198
  197.030531 10.262538 102
//