ACCESSION: MSBNK-EPA-ENTACT_AGILENT001244
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-0005-9000000000-8ff6a46d7dbbc0c67116
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  37.008374 1.333094 13
  40.006697 3.331048 33
  41.003288 2.478855 24
  41.014522 14.95487 149
  41.998537 100.000005 999
  42.022347 2.100558 20
  45.993452 94.580998 944
  46.017261 2.000075 19
  49.008374 40.185195 401
  50.003623 8.140045 81
  50.016199 2.782611 27
  51.011448 2.331115 23
  52.019273 2.358061 23
  53.003288 1.244193 12
  55.017596 2.567998 25
  63.011448 1.65406 16
  64.019273 14.69848 146
  65.003288 20.707427 206
  65.027098 1.206475 12
  65.998537 3.277393 32
  77.003288 12.79942 127
  82.004685 2.438465 24
  89.998537 2.590913 25
  92.014187 2.27683 22
//