ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008661
RECORD_TITLE: CITRONELLAL DIETHYL ACETAL; 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$NAME: CITRONELLAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCOC(OCC)CC(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C14H28O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,13-14H,6-8,10-11H2,1-5H3
CH$LINK: INCHIKEY HYNXWFKVWMABRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20868023

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$SPLASH: splash10-0fdk-9400000000-1a6a8d0e34318736d26d
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  19 1.76 18
  26 1.1 11
  27 19.32 193
  29 50.13 501
  30 1.31 13
  31 6.86 69
  39 10.61 106
  40 2.9 29
  41 81.12 811
  42 6.03 60
  43 24.1 241
  44 10.95 110
  45 8.98 90
  47 96.76 968
  48 1.68 17
  51 1.57 16
  53 11.23 112
  54 2.62 26
  55 33.22 332
  56 8.27 83
  57 21.47 215
  58 1.36 14
  59 8.26 83
  60 1.32 13
  61 1.13 11
  65 1.61 16
  66 1.65 17
  67 27.15 272
  68 7.08 71
  69 61.49 615
  70 5.78 58
  71 26.14 261
  72 5.35 54
  73 76.95 770
  76 2.39 24
  77 2.88 29
  79 3.65 37
  80 9.08 91
  81 72.99 730
  82 26.57 266
  83 22.73 227
  84 3.71 37
  85 5.28 53
  87 4.15 42
  91 1.48 15
  92 1.04 10
  93 7.86 79
  94 2.87 29
  95 48.56 486
  96 5.12 51
  97 10.16 102
  98 2.44 24
  99 33.34 333
  100 29.57 296
  101 3.87 39
  103 99.99 999
  104 4.95 50
  105 1.06 11
  107 3.66 37
  108 1.26 13
  109 10.57 106
  110 7.2 72
  111 6.53 65
  112 10.81 108
  113 2.73 27
  115 2.59 26
  121 93.71 937
  122 8.73 87
  123 8.66 87
  125 5.62 56
  126 2.06 21
  136 13.42 134
  137 14.47 145
  138 10.61 106
  139 24.43 244
  140 2.34 23
  143 10.21 102
  144 1.22 12
  167 5.35 54
  182 9.01 90
  183 3.93 39
//