ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006267
RECORD_TITLE: 12-CROWN-4; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 12-CROWN-4
CH$NAME: 1,4,7,10-TETRAOXACYCLODODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₄
CH$EXACT_MASS: 176.10486
CH$SMILES: C(C1)OCCOCCOCCO1
CH$IUPAC: InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
CH$LINK: CAS 294-93-9
CH$LINK: INCHIKEY XQQZRZQVBFHBHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059780

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002e-9000000000-ff13d3168cfc3b53589c
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 6.86 69
  16 0.55 6
  19 1.31 13
  26 2.49 25
  27 11.94 119
  28 36.45 365
  29 17.72 177
  30 4.56 46
  31 13.76 138
  32 1.16 12
  41 3.33 33
  42 11.41 114
  43 49.62 496
  44 31.28 313
  45 99.99 999
  46 2.42 24
  56 1.42 14
  57 8.88 89
  58 16.5 165
  59 11.41 114
  60 0.98 10
  61 2.48 25
  70 4.56 46
  71 4.96 50
  72 12.51 125
  73 17.75 178
  74 2.26 23
  75 4.25 43
  86 4.15 42
  87 16.89 169
  88 13.2 132
  89 30.18 302
  90 1.51 15
  100 0.52 5
  101 5.65 57
  102 2.34 23
  103 1.57 16
  104 1.69 17
  105 0.83 8
  117 1.63 16
  133 8.92 89
  134 0.54 5
  177 0.67 7
//