ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008717
RECORD_TITLE: 2-METHYL-3-(4-T-BUTYLPHENYL)PROPIONALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHYL-3-(4-T-BUTYLPHENYL)PROPIONALDEHYDE
CH$NAME: LILY ALDEHYDE
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: INCHIKEY SDQFDHOLCGWZPU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026500

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$SPLASH: splash10-000l-3900000000-63ac003c22ef7601bf05
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  27 4.18 42
  29 8.99 90
  39 5.53 55
  41 16.83 168
  43 2.82 28
  51 2.88 29
  52 1.02 10
  53 2.34 23
  55 2.45 25
  57 14.23 142
  63 2.22 22
  64 1.94 19
  65 5.03 50
  66 1.03 10
  77 4.98 50
  78 2.6 26
  79 2.37 24
  89 2.25 23
  90 1.08 11
  91 25.7 257
  92 3.65 37
  102 1.32 13
  103 3.01 30
  104 3.21 32
  105 9 90
  107 1.02 10
  115 12.85 129
  116 4.54 45
  117 24.84 248
  118 2.76 28
  119 16.22 162
  120 1.82 18
  127 1.86 19
  128 4.59 46
  129 3.95 40
  130 5.08 51
  131 29.98 300
  132 17.84 178
  133 3.14 31
  134 1.08 11
  143 1.01 10
  145 8.7 87
  146 1.88 19
  147 41.21 412
  148 7.86 79
  159 1.32 13
  161 2.22 22
  187 1.59 16
  189 99.99 999
  190 14.34 143
  204 23.16 232
  205 3.05 31
//