ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006861
RECORD_TITLE: 3-NONANOL; 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$NAME: 3-NONANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀O
CH$EXACT_MASS: 144.15142
CH$SMILES: CCCCCCC(O)CC
CH$IUPAC: InChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3
CH$LINK: COMPTOX DTXSID50862317
CH$LINK: INCHIKEY GYSCXPVAKHVAAY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12216

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$SPLASH: splash10-0a4i-9000000000-367d9c61f666330ad098
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 13.52 135
  28 2.45 25
  29 19.93 199
  31 19.19 192
  39 7.75 78
  40 1.15 12
  41 27.59 276
  42 5.29 53
  43 21.11 211
  44 4.56 46
  45 2.04 20
  53 1.62 16
  55 66.51 665
  56 6.37 64
  57 11.16 112
  58 9.9 99
  59 99.99 999
  60 2.71 27
  67 1.02 10
  69 12.24 122
  70 3.58 36
  71 1.93 19
  83 1.28 13
  84 1.26 13
  97 42.72 427
  98 3.22 32
  115 18.3 183
  116 1.18 12
  126 2.08 21
//