ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008288
RECORD_TITLE: LILYALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: LILYALDEHYDE
CH$NAME: LILYAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O
CH$EXACT_MASS: 204.15142
CH$SMILES: O=CC(C)Cc(c1)ccc(c1)C(C)(C)C
CH$IUPAC: InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3
CH$LINK: CAS 80-54-6
CH$LINK: INCHIKEY SDQFDHOLCGWZPU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026500

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-000i-3900000000-c15f5799f717408a168b
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  27 4.06 41
  28 1.92 19
  29 8.25 83
  39 6.74 67
  41 12.65 127
  43 3.86 39
  51 2.96 30
  53 2.47 25
  55 2.95 30
  57 13.94 139
  58 1.33 13
  63 2 20
  64 2.42 24
  65 6.07 61
  66 1.41 14
  71 1.11 11
  73 1.07 11
  77 4.63 46
  78 2.14 21
  79 2.62 26
  80 1.05 11
  89 1.41 14
  90 0.72 7
  91 17.9 179
  92 4.05 41
  93 1.08 11
  103 2.78 28
  104 2.68 27
  105 7.7 77
  106 0.78 8
  107 1.54 15
  115 9 90
  116 4.23 42
  117 17.48 175
  118 2.18 22
  119 12.97 130
  120 1.95 20
  127 1.47 15
  128 3.31 33
  129 3.4 34
  130 6.55 66
  131 24.5 245
  132 18.83 188
  133 3.92 39
  134 1.21 12
  145 4.75 48
  146 1.41 14
  147 36.73 367
  148 7.96 80
  159 1.25 13
  161 3.37 34
  189 99.99 999
  190 13.99 140
  191 1.21 12
  204 22.15 222
  205 4.13 41
//