ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008715
RECORD_TITLE: 2-METHYL-3-(4-ISOPROPYLPHENYL)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$NAME: 2-METHYL-3-(4-ISOPROPYLPHENYL)PROPIONALDEHYDE
CH$NAME: CYCLAMEN ALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O
CH$EXACT_MASS: 190.13577
CH$SMILES: O=CC(C)Cc(c1)ccc(C(C)C)c1
CH$IUPAC: InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
CH$LINK: INCHIKEY ZFNVDHOSLNRHNN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2044769
AC$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: splash10-00lu-4900000000-390e75a8bec4be806299
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  15 2.13 21
  27 9.78 98
  29 9.3 93
  32 4.43 44
  39 9.07 91
  41 13.37 134
  42 1.14 11
  43 11.2 112
  44 2.77 28
  50 2.15 22
  51 5.91 59
  52 2.17 22
  53 3.4 34
  55 2.88 29
  58 1.63 16
  63 4 40
  64 2.06 21
  65 5.38 54
  67 1.35 14
  69 1.68 17
  75 1.69 17
  76 1.57 16
  77 8.44 84
  78 4.36 44
  79 4.53 45
  89 3.94 39
  90 1.15 12
  91 33.14 331
  92 7.52 75
  93 2.91 29
  102 2.22 22
  103 6.09 61
  104 3.24 32
  105 32.79 328
  106 4.24 42
  115 14.99 150
  116 5.53 55
  117 28.69 287
  118 12.05 121
  119 7.65 77
  120 7.73 77
  121 1.28 13
  127 2.26 23
  128 4.24 42
  129 5.88 59
  130 2.69 27
  131 8.71 87
  132 6.4 64
  133 99.99 999
  134 10.96 110
  135 1.24 12
  145 3.92 39
  146 1.62 16
  147 16.53 165
  148 3.21 32
  157 1.44 14
  160 1.14 11
  175 19.59 196
  176 3.23 32
  190 28.04 280
  191 4.64 46
//
