ACCESSION: MSBNK-EPA-ENTACT_AGILENT001247
RECORD_TITLE: 2-Amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0udi-9000000000-a03548bda7be1b691204
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  38.002525 2.253943 22
  38.015101 6.580465 65
  39.022927 6.289811 62
  41.026001 3.050162 30
  41.038577 1.212218 12
  42.021249 1.514503 15
  43.029075 3.341745 33
  44.01309 6.319544 63
  44.0369 1.497872 14
  50.015101 10.359472 103
  51.022927 14.504251 144
  52.018175 23.455276 234
  52.030752 5.046289 50
  53.002191 4.408941 44
  53.013424 4.738454 47
  53.026001 29.082335 290
  53.99744 3.145981 31
  54.010016 99.999999 999
  54.033826 3.639058 36
  55.041651 1.065574 10
  63.994366 1.381646 13
  64.018175 50.281374 502
  65.013424 1.253363 12
  66.008673 2.360859 23
  66.033826 2.718975 27
  68.01309 1.172578 11
  68.0369 2.875457 28
  70.039974 2.193888 21
  77.002191 4.490185 44
  77.021978 1.030932 10
  78.010016 22.020112 219
  79.029075 15.674446 156
  79.041651 1.333196 13
  80.0369 23.886562 238
  82.003588 9.34101 93
  82.016164 10.730567 107
  82.02874 1.418632 14
  108.031814 2.41368 24
  123.042713 1.593414 15
//