ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005379
RECORD_TITLE: 10-UNDECENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 10-UNDECENOIC ACID METHYL ESTER
CH$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$LINK: COMPTOX DTXSID5046566
CH$LINK: INCHIKEY KISVAASFGZJBCY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8138
AC$INSTRUMENT: SHIMADZU QP-1000
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: splash10-00dj-9300000000-e0116ed5dfa3afdc94a4
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  43 10.7 107
  44 21.6 216
  46 1.8 18
  54 0.59 6
  55 50.6 506
  56 7.2 72
  57 6.7 67
  59 1.24 12
  67 11.5 115
  68 15 150
  69 27.4 274
  70 0.42 4
  71 4 40
  72 1.5 15
  74 99.99 999
  75 0.88 9
  79 2.1 21
  80 2.8 28
  81 11.3 113
  82 2.58 26
  83 28.1 281
  84 29.9 299
  85 5 50
  87 4.22 42
  88 4.5 45
  93 2.2 22
  94 4 40
  95 0.96 10
  96 41.6 416
  97 21 210
  98 20.6 206
  99 0.3 3
  100 1.1 11
  101 7.1 71
  102 1.1 11
  106 0.12 1
  107 2.9 29
  108 1.5 15
  109 6.4 64
  110 1.2 12
  111 7 70
  112 2 20
  113 4.2 42
  114 0.65 7
  115 6.5 65
  116 1.4 14
  119 4.5 45
  120 0.11 1
  122 8.9 89
  123 17.2 172
  124 44.6 446
  125 1.12 11
  127 3.1 31
  128 3.8 38
  129 2.3 23
  133 0.15 2
  137 12 120
  138 6.6 66
  141 3.3 33
  143 0.13 1
  147 1.2 12
  148 6.6 66
  149 14.1 141
  150 0.17 2
  151 1.7 17
  155 2.5 25
  165 2.4 24
  166 1.55 16
  167 7.6 76
//
