ACCESSION: MSBNK-EPA-ENTACT_AGILENT001243
RECORD_TITLE: 2-Amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-000t-5900000000-95873e5311296f3c80d6
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.026001 1.065823 10
  54.010016 8.543992 85
  54.033826 1.612225 16
  68.0369 12.621938 126
  80.0369 2.152821 21
  82.004931 47.471097 474
  82.039974 1.016402 10
  94.027398 1.316459 13
  96.031814 9.666648 96
  98.022312 1.073675 10
  108.031814 6.097714 60
  111.042713 1.435181 14
  123.042713 4.518309 45
  139.037628 1.120801 11
  151.037628 5.076539 50
  154.024717 3.88529 38
  169.035616 1.153552 11
  180.003982 18.164709 181
  197.030531 100.000001 999
//