ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011204
RECORD_TITLE: PHENYLISOCYANATE-CYCLICDIMER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PHENYLISOCYANATE-CYCLICDIMER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₀N₂O₂
CH$EXACT_MASS: 238.07423
CH$SMILES: c(c3)ccc(c3)n(c(=O)1)c(=O)n(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C14H10N2O2/c17-13-15(11-7-3-1-4-8-11)14(18)16(13)12-9-5-2-6-10-12/h1-10H
CH$LINK: INCHIKEY ZDIXQAFFNKGCNG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80299430

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-02tc-9410000000-612ce45cf16713ce5ef9
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  37 2.9 29
  38 9 90
  39 13 130
  40 6.7 67
  41 6.8 68
  44 2.3 23
  50 4.7 47
  51 10.2 102
  52 6.2 62
  61 1.1 11
  62 2.8 28
  63 19.1 191
  64 45.7 457
  65 10.9 109
  66 1.1 11
  76 1.3 13
  77 3.9 39
  90 7.1 71
  91 71.3 713
  92 7.2 72
  93 1 10
  119 99.99 999
  120 26.5 265
  121 1.7 17
  238 28.5 285
  239 5.8 58
//