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MassBank Record: JP003680

1,2,3,4-TETRAMETHOXYBUTANE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003680
RECORD_TITLE: 1,2,3,4-TETRAMETHOXYBUTANE; 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$NAME: 1,2,3,4-TETRAMETHOXYBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O4
CH$EXACT_MASS: 178.12051
CH$SMILES: COCC(OC)C(OC)COC
CH$IUPAC: InChI=1S/C8H18O4/c1-9-5-7(11-3)8(12-4)6-10-2/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY UOTINMFZLVZNEW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50337398

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$SPLASH: splash10-052b-9000000000-01f2062cef7485d8e4ba
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  39 1.9 19
  41 6.8 68
  42 1.6 16
  43 0.81 8
  44 1.6 16
  45 99.99 999
  46 2.2 22
  47 0.29 3
  53 0.7 7
  55 1.4 14
  56 1 10
  57 0.16 2
  58 28.1 281
  59 35.4 354
  60 1.7 17
  69 0.08 1
  71 12.4 124
  72 2.5 25
  73 9.4 94
  74 0.18 2
  75 42.7 427
  76 1.4 14
  85 1 10
  87 0.15 2
  88 27.7 277
  89 21.2 212
  90 1.1 11
  101 3.96 40
  102 3.2 32
  103 4.8 48
  104 0.8 8
  115 1.1 11
  119 1.4 14
  120 0.09 1
  133 8.2 82
  134 0.5 5
  146 0.21 2
//

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