ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003677
RECORD_TITLE: 1,2,3-TRIMETHOXYPENTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3-TRIMETHOXYPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₃
CH$EXACT_MASS: 162.12559
CH$SMILES: COCC(OC)C(CC)OC
CH$IUPAC: InChI=1S/C8H18O3/c1-5-7(10-3)8(11-4)6-9-2/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY HURIHJCELQOCMD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00338971

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05fr-9000000000-fbff5d0486a45ef82146
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  39 3.5 35
  41 19.3 193
  42 3.1 31
  43 0.88 9
  45 41.7 417
  46 1 10
  47 2.4 24
  53 0.71 7
  54 0.6 6
  55 4.7 47
  56 1.1 11
  57 0.43 4
  58 50 500
  59 18.7 187
  60 0.8 8
  64 0.08 1
  67 1.7 17
  68 0.5 5
  69 0.7 7
  70 0.05 1
  71 6.3 63
  72 24.2 242
  73 99.99 999
  74 0.57 6
  75 11.2 112
  85 13.4 134
  86 1.4 14
  87 0.13 1
  88 3.6 36
  89 8 80
  97 0.5 5
  98 0.07 1
  99 1.7 17
  101 6.7 67
  102 0.7 7
  103 2.74 27
  104 1.6 16
  117 4.6 46
  133 2.9 29
//