ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006844
RECORD_TITLE: ISOAMYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOAMYL ALCOHOL
CH$NAME: 3-METHYLBUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O
CH$EXACT_MASS: 88.08882
CH$SMILES: OCCC(C)C
CH$IUPAC: InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY PHTQWCKDNZKARW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3025469

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-bf852ef18965656b4e96
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 5.11 51
  19 2.09 21
  26 2.98 30
  27 35.11 351
  28 10.43 104
  29 49.36 494
  30 1.65 17
  31 47.77 478
  38 2.78 28
  39 34.1 341
  40 5.06 51
  41 84.01 840
  42 77.04 770
  43 65.91 659
  44 5.69 57
  45 17.79 178
  46 6.82 68
  47 1.18 12
  50 1.51 15
  51 1.88 19
  53 4.28 43
  54 1.58 16
  55 99.99 999
  56 32.35 324
  57 47.55 476
  58 2.29 23
  59 1.45 15
  69 5.63 56
  70 75.07 751
  71 5.88 59
//