MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007372

3-METHOXY-1-BUTANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007372
RECORD_TITLE: 3-METHOXY-1-BUTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 3-METHOXY-1-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O₂
CH$EXACT_MASS: 104.08373
CH$SMILES: OCCC(C)OC
CH$IUPAC: InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3
CH$LINK: CAS 2517-43-3
CH$LINK: INCHIKEY JSGVZVOGOQILFM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0044812

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AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9000000000-1a6f6dd44387247d4bcb
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  14 1.57 16
  15 4.57 46
  27 5.12 51
  28 1.7 17
  29 10.46 105
  31 17.6 176
  33 8.21 82
  39 3.41 34
  41 6.43 64
  42 4.71 47
  43 6.59 66
  45 4.18 42
  55 4.26 43
  56 1.46 15
  57 4.73 47
  58 2.87 29
  59 99.99 999
  60 3.65 37
  71 3.87 39
  72 2.17 22
  86 2.17 22
  89 6.51 65
//