ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006043
RECORD_TITLE: TRIETHYLENE GLYCOL MONOBUTYL ETHER; 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

CH$NAME: TRIETHYLENE GLYCOL MONOBUTYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O₄
CH$EXACT_MASS: 206.15181
CH$SMILES: CCCCOCCOCCOCCO
CH$IUPAC: InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3
CH$LINK: INCHIKEY COBPKKZHLDDMTB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021520

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4s-9100000000-bf86f305c4cb4e8c8c22
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  29 3.48 35
  41 7.4 74
  43 2.68 27
  44 20.71 207
  45 99.99 999
  46 2.15 22
  55 3.55 36
  56 27.76 278
  57 62.26 623
  58 8.58 86
  59 24.4 244
  60 1.99 20
  61 1.06 11
  63 1.05 11
  69 2.17 22
  70 1 10
  71 4.16 42
  72 14.28 143
  73 7.91 79
  75 31.42 314
  76 6.33 63
  77 1.44 14
  83 1.68 17
  85 26.18 262
  86 1.7 17
  87 19.72 197
  88 18.44 184
  89 51.51 515
  90 3.55 36
  98 1.25 13
  99 1.43 14
  100 29.02 290
  101 23.38 234
  102 3.12 31
  103 7.73 77
  115 1.45 15
  116 1.08 11
  117 7.26 73
  119 8.17 82
  131 7.79 78
  133 1.49 15
  144 4.78 48
  145 1.18 12
  206 1.06 11
  207 0.13 1
//