ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006268
RECORD_TITLE: 15-CROWN-5; 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$NAME: 15-CROWN-5
CH$NAME: 1,4,7,10,13-PENTAOXACYCLOPENTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₅
CH$EXACT_MASS: 220.13107
CH$SMILES: C(C1)OCCOCCOCCOCCO1
CH$IUPAC: InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
CH$LINK: CAS 33100-27-5
CH$LINK: INCHIKEY VFTFKUDGYRBSAL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7067746

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$SPLASH: splash10-000m-9100000000-b7f8e0574d3f521b51e2
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 5.4 54
  19 1.48 15
  26 1.84 18
  27 11.23 112
  28 36.23 362
  29 22.11 221
  30 5.2 52
  31 27.76 278
  32 9.31 93
  41 5.4 54
  42 13.91 139
  43 60.23 602
  44 40.07 401
  45 99.99 999
  46 2.69 27
  56 2.03 20
  57 11.2 112
  58 22.9 229
  59 20.53 205
  60 1.45 15
  61 1.28 13
  69 0.95 10
  70 6.2 62
  71 9.25 93
  72 15.98 160
  73 32.62 326
  74 1.55 16
  75 4.34 43
  86 5.69 57
  87 30.75 308
  88 25.73 257
  89 57.3 573
  90 2.95 30
  91 0.65 7
  99 0.87 9
  100 0.8 8
  101 10.11 101
  102 2.82 28
  103 2.67 27
  104 0.7 7
  105 1.41 14
  114 0.87 9
  115 1.7 17
  116 0.92 9
  117 4.8 48
  118 1.31 13
  119 1.06 11
  131 4.83 48
  132 0.65 7
  133 27.99 280
  134 1.79 18
  177 2.39 24
  221 0.62 6
//