ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005326
RECORD_TITLE: 3-METHYL-1-BUTYN-3-OL; 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$NAME: 3-METHYL-1-BUTYN-3-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O
CH$EXACT_MASS: 84.05751
CH$SMILES: C#CC(C)(C)O
CH$IUPAC: InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
CH$LINK: INCHIKEY CEBKHWWANWSNTI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021949
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$SPLASH: splash10-00di-9000000000-3ef028875ff7d084c478
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 4.73 47
  26 1.48 15
  27 3.65 37
  29 1.58 16
  31 1.28 13
  37 1.68 17
  38 2.86 29
  39 12.72 127
  40 2.17 22
  41 9.66 97
  42 1.97 20
  43 41.66 417
  44 1.28 13
  49 1.08 11
  50 3.64 36
  51 4.34 43
  53 4.53 45
  55 2.07 21
  56 1.28 13
  65 1.18 12
  67 2.07 21
  69 2.66 27
  70 99.99 999
  71 4.63 46
  83 6.8 68
  84 0.49 5
//
