ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005892
RECORD_TITLE: METHYL 10-UNDECENOATE; 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$NAME: METHYL 10-UNDECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: C=CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
CH$LINK: INCHIKEY KISVAASFGZJBCY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5046566

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00m1-9400000000-2ff1bcc56e21d64920aa
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  15 1.27 13
  28 2.11 21
  29 2.54 25
  41 14.08 141
  42 4.79 48
  43 20.7 207
  45 2.25 23
  54 9.72 97
  55 74.37 744
  56 11.55 116
  57 6.34 63
  59 12.54 125
  66 1.41 14
  67 18.03 180
  68 29.01 290
  69 52.96 530
  70 7.61 76
  71 7.88 79
  72 3.24 32
  73 10.14 101
  74 20 200
  75 21.13 211
  76 1.55 16
  79 3.38 34
  80 5.77 58
  81 20.56 206
  82 56.9 569
  83 57.18 572
  84 77.18 772
  85 11.27 113
  86 1.27 13
  87 99.99 999
  88 11.69 117
  89 1.13 11
  93 3.38 34
  94 9.44 94
  95 14.23 142
  96 71.55 716
  97 31.55 316
  98 49.3 493
  99 5.92 59
  100 2.11 21
  101 14.23 142
  102 2.82 28
  106 1.97 20
  107 4.08 41
  108 3.38 34
  109 7.89 79
  110 20.99 210
  111 11.69 117
  112 3.52 35
  113 7.04 70
  114 12.68 127
  115 13.66 137
  119 4.51 45
  120 1.69 17
  122 17.61 176
  123 24.65 247
  124 75.77 758
  125 20.85 209
  126 2.25 23
  127 5.07 51
  128 9.44 94
  129 5.35 54
  130 2.39 24
  133 1.97 20
  137 14.79 148
  138 12.11 121
  139 1.97 20
  141 5.92 59
  142 1.97 20
  143 2.82 28
  148 11.13 111
  149 19.15 192
  150 2.54 25
  151 1.97 20
  155 4.65 47
  156 1.69 17
  157 1.24 12
  166 57.75 578
  167 18.87 189
  168 2.54 25
  169 2.11 21
  198 3.38 34
//