ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000272
RECORD_TITLE: 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

CH$NAME: 1-BUTANOL
CH$NAME: BUTYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀O
CH$EXACT_MASS: 74.07316
CH$SMILES: CCCCO
CH$IUPAC: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
CH$LINK: INCHIKEY LRHPLDYGYMQRHN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021740

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$SPLASH: splash10-052f-9000000000-f8337e5e053a4d17e4ed
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 4.2 42
  19 3.5 35
  26 4.4 44
  27 3.99 40
  28 13.8 138
  29 18 180
  30 1.2 12
  31 8.36 84
  32 1.8 18
  33 8.2 82
  37 1.3 13
  38 0.24 2
  39 15.4 154
  40 4.9 49
  41 70.6 706
  42 3.19 32
  43 55.2 552
  44 2.3 23
  45 6.5 65
  50 0.11 1
  51 1 10
  53 1.3 13
  55 14.4 144
  56 99.99 999
  57 5.8 58
  73 1.8 18
  74 1.3 13
//