ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006349
RECORD_TITLE: 3(S)-CITRONELOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3(S)-CITRONELOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O
CH$EXACT_MASS: 156.15142
CH$SMILES: OCCC([H])(C)CCCC(C)=C
CH$IUPAC: InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3/t10-/m0/s1
CH$LINK: INCHIKEY JGQFVRIQXUFPAH-JTQLQIEISA-N
CH$LINK: COMPTOX DTXSID1047233

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-067l-9000000000-95551f92ce5fa91af3b4
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  31 21.84 218
  39 25.09 251
  41 99.99 999
  42 11.08 111
  43 21.99 220
  45 3.49 35
  51 2.38 24
  52 1.41 14
  53 13.99 140
  54 5.6 56
  55 65.63 656
  56 44.45 445
  57 15.52 155
  65 2.72 27
  66 1.5 15
  67 55.17 552
  68 29.77 298
  69 81.78 818
  70 16.71 167
  71 25.29 253
  72 1.53 15
  77 1.95 20
  79 3.74 37
  80 0.37 4
  81 45.7 457
  82 49.58 496
  83 14.06 141
  84 2.36 24
  85 3.44 34
  86 2.52 25
  91 1.07 11
  93 1.28 13
  94 1.67 17
  95 35.13 351
  96 7.85 79
  97 1.25 13
  99 1.32 13
  109 13.79 138
  110 5.28 53
  111 1.64 16
  112 1.51 15
  123 19.73 197
  124 2.06 21
  138 9.58 96
  139 1.28 13
  156 7.04 70
//