ACCESSION: MSBNK-EPA-ENTACT_AGILENT001245
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

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$SPLASH: splash10-001i-9200000000-1f9622c70d8118fbea3b
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  41.003288 1.033031 10
  41.014522 2.61277 26
  41.998537 44.131727 440
  45.993452 18.241796 182
  49.008374 1.330294 13
  50.003623 4.217191 42
  50.016199 1.19808 11
  52.019273 1.672695 16
  55.017596 4.876313 48
  63.011448 1.164971 11
  64.019273 14.342932 143
  65.003288 9.216984 92
  65.027098 6.51232 65
  65.998537 1.679491 16
  66.009771 1.498682 14
  77.003288 10.394158 103
  80.014187 4.825134 48
  82.004685 100.000001 999
  92.012845 8.04931 80
  94.006028 5.149241 51
  105.009436 4.240434 42
  108.009102 1.016832 10
  109.016927 1.01828 10
  110.000943 4.033404 40
  112.004017 1.963029 19
  120.020335 2.237144 22
  121.02816 13.876926 138
  123.020001 1.268769 12
  124.004017 14.498916 144
  136.004017 1.541781 15
  148.01525 16.610866 165
  165.01799 3.072866 30
  195.015978 14.730671 147
//