ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007449
RECORD_TITLE: 1-METHOXY-2-BUTANOL; CI-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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-9300000000-3de8525291f33b2eee97
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  72 2.03 20
  73 5.67 57
  75 2.55 26
  87 99.99 999
  88 5.42 54
  99 1.02 10
  103 1.59 16
  105 40.65 407
  106 2.38 24
//