ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008694
RECORD_TITLE: MYRTENAL; 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$NAME: MYRTENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.10447
CH$SMILES: O=CC(=C2)C([H])(C1)C(C)(C)C([H])(C2)1
CH$IUPAC: InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3
CH$LINK: INCHIKEY KMRMUZKLFIEVAO-UHFFFAOYSA-N

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$SPLASH: splash10-0a6r-9400000000-fcdf2367f56405b75648
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  15 1.19 12
  27 20.8 208
  29 13.06 131
  38 1.61 16
  39 30.92 309
  40 3.32 33
  41 33.22 332
  42 1.84 18
  43 13.21 132
  50 3.63 36
  51 13.89 139
  52 4.92 49
  53 18.09 181
  54 2.15 22
  55 6.12 61
  59 2.19 22
  63 3.51 35
  65 10.89 109
  66 13.76 138
  67 10.62 106
  68 2.92 29
  69 3.2 32
  77 37.96 380
  78 9.57 96
  79 99.99 999
  80 11.61 116
  81 6.41 64
  82 1.65 17
  83 1.04 10
  90 1.36 14
  91 32.05 321
  92 5.51 55
  93 12.04 120
  94 11.19 112
  95 4.55 46
  96 1.68 17
  103 2.41 24
  104 1.09 11
  105 24.63 246
  106 32.54 325
  107 67.97 680
  108 34.93 349
  109 5.98 60
  115 1.88 19
  117 5.87 59
  119 1.7 17
  121 6.19 62
  122 2.22 22
  135 13.61 136
  136 1.1 11
  150 2.46 25
//