ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003676
RECORD_TITLE: 1,2,3-TRIMETHOXYPROPANE; 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$NAME: 1,2,3-TRIMETHOXYPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O₃
CH$EXACT_MASS: 134.09429
CH$SMILES: COCC(OC)COC
CH$IUPAC: InChI=1S/C6H14O3/c1-7-4-6(9-3)5-8-2/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY CAYMIAFKNJGSOR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00174674

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$SPLASH: splash10-0a4s-9000000000-e7eac1454f4f9d26e92e
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  39 5.4 54
  41 13.7 137
  42 6.5 65
  43 3.37 34
  45 81.1 811
  46 2.2 22
  47 9 90
  55 0.17 2
  56 2.5 25
  57 4.4 44
  58 46.4 464
  59 99.99 999
  60 4.8 48
  70 1 10
  71 14.9 149
  72 0.61 6
  73 4.3 43
  74 4 40
  75 7.4 74
  87 0.17 2
  88 11.8 118
  89 77.1 771
  90 2.4 24
  101 0.35 4
  102 35.2 352
  103 1.8 18
//