ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007371
RECORD_TITLE: 1-METHOXY-2-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

CH$NAME: 1-METHOXY-2-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O₂
CH$EXACT_MASS: 104.08373
CH$SMILES: CCC(O)COC
CH$IUPAC: InChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3
CH$LINK: CAS 53778-73-7
CH$LINK: INCHIKEY CSZZMFWKAQEMPB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00866360

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9000000000-7e39fb777385d63d8b3d
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 11.09 111
  26 1.24 12
  27 8.67 87
  28 2.41 24
  29 7.98 80
  31 54.77 548
  33 2.72 27
  39 3.28 33
  41 21 210
  42 1.54 15
  43 13.94 139
  44 2.29 23
  45 42.87 429
  46 3.22 32
  47 23.04 230
  55 3.16 32
  57 5.26 53
  58 36.37 364
  59 99.99 999
  60 3.47 35
  71 1.98 20
  73 6.69 67
  75 20.63 206
  104 0.99 10
//