MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009707

7,7,8,8-TETRACYANOQUINODIMETHANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009707
RECORD_TITLE: 7,7,8,8-TETRACYANOQUINODIMETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 7,7,8,8-TETRACYANOQUINODIMETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₄N₄
CH$EXACT_MASS: 204.04360
CH$SMILES: N#CC(C#N)=c(c1)ccc(c1)=C(C#N)C#N
CH$IUPAC: InChI=1S/C12H4N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H
CH$LINK: INCHIKEY PCCVSPMFGIFTHU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5061748

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0udi-0490000000-ce9b3ff118853b1d8f8e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  88 1.5 15
  101 2.17 22
  102 1.15 12
  113 1.23 12
  125 2.04 20
  126 1.69 17
  128 2.28 23
  141 4.84 48
  150 4.65 47
  151 2.18 22
  152 6.2 62
  153 1.95 20
  177 19.38 194
  178 4.63 46
  179 1.06 11
  203 1.36 14
  204 99.99 999
  205 15.5 155
  206 2.06 21
//