ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006001
RECORD_TITLE: METHYL DIHYDROJASMONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL DIHYDROJASMONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂O₃
CH$EXACT_MASS: 226.15689
CH$SMILES: CCCCCC(C(=O)1)C(CC1)CC(=O)OC
CH$IUPAC: InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
CH$LINK: INCHIKEY KVWWIYGFBYDJQC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2029325

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-053r-9300000000-62390431d97df2804646
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  15 6.3 63
  17 3.3 33
  18 15.2 152
  26 0.06 1
  27 8.2 82
  28 3.1 31
  29 10 100
  30 0.05 1
  31 0.7 7
  32 0.8 8
  39 6.9 69
  40 0.18 2
  41 20.8 208
  42 2.7 27
  43 5.8 58
  44 0.07 1
  45 1.2 12
  51 0.9 9
  52 0.9 9
  53 0.54 5
  54 5.3 53
  55 13.4 134
  56 2.2 22
  57 0.15 2
  58 0.7 7
  59 6.5 65
  65 1.6 16
  66 0.12 1
  67 8.9 89
  68 3.9 39
  69 7.2 72
  70 0.11 1
  71 2.3 23
  72 0.7 7
  73 0.6 6
  74 0.73 7
  75 5.4 54
  76 0.6 6
  77 1.7 17
  78 0.08 1
  79 3.8 38
  80 1.2 12
  81 5.8 58
  82 2.47 25
  83 99.99 999
  84 7.2 72
  85 2.8 28
  86 0.06 1
  87 1.2 12
  91 1.5 15
  92 0.7 7
  93 0.21 2
  94 0.8 8
  95 4.7 47
  96 8.6 86
  97 0.58 6
  98 0.8 8
  99 1.2 12
  101 0.6 6
  105 0.09 1
  107 0.9 9
  108 0.7 7
  109 4 40
  110 0.17 2
  111 1.5 15
  112 1.1 11
  113 1.3 13
  114 0.07 1
  115 0.7 7
  119 0.8 8
  121 0.6 6
  123 0.18 2
  124 1.3 13
  125 0.7 7
  127 0.8 8
  128 0.09 1
  133 0.8 8
  134 0.7 7
  135 1.1 11
  137 0.18 2
  138 1.6 16
  139 0.6 6
  141 1.1 11
  149 0.12 1
  151 2.4 24
  152 2.8 28
  153 31.2 312
  154 0.36 4
  155 1.4 14
  156 42.5 425
  157 4 40
  158 0.07 1
  164 0.5 5
  165 1.5 15
  166 0.7 7
  169 0.19 2
  194 1.6 16
  195 4.2 42
  196 0.8 8
  197 0.06 1
  226 5.9 59
  227 1.1 11
//