MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003675

1,2,4-TRIMETHOXYBUTANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003675
RECORD_TITLE: 1,2,4-TRIMETHOXYBUTANE; 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

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CH$NAME: 1,2,4-TRIMETHOXYBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆O₃
CH$EXACT_MASS: 148.10994
CH$SMILES: COCCC(OC)COC
CH$IUPAC: InChI=1S/C7H16O3/c1-8-5-4-7(10-3)6-9-2/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY CWLPBGQUGHLPBK-UHFFFAOYSA-N

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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-9100000000-14efe2441a0275b00be4
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  39 2.1 21
  41 5.9 59
  42 1.4 14
  43 0.46 5
  45 99.99 999
  46 2.5 25
  53 1.1 11
  54 0.02 0
  55 2.3 23
  56 0.5 5
  57 0.9 9
  58 0.29 3
  59 5 50
  60 0.3 3
  69 0.7 7
  70 0.02 0
  71 14.3 143
  73 9.4 94
  74 0.7 7
  75 0.24 2
  84 1 10
  85 1.9 19
  86 0.4 4
  87 0.02 0
  88 0.2 2
  89 2 20
  101 0.8 8
  102 0.01 0
  103 22.9 229
  104 1.3 13
  115 0.1 1
  116 0.05 1
  117 0.3 3
//