ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005378
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$LINK: INCHIKEY KISVAASFGZJBCY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5046566
AC$INSTRUMENT: SHIMADZU QP-1000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0abc-9200000000-f1efe8e848066cb630a9
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  40 1 10
  41 32.9 329
  42 5.8 58
  43 8.77 88
  44 42.3 423
  45 2.3 23
  46 5.8 58
  52 0.13 1
  54 14.2 142
  55 99.99 999
  56 12 120
  57 0.9 9
  59 29.1 291
  65 1.5 15
  66 1.3 13
  67 1.88 19
  68 16.1 161
  69 32.6 326
  70 4.6 46
  71 0.41 4
  72 1.6 16
  73 7.3 73
  74 93.1 931
  75 0.78 8
  79 4.1 41
  80 2.9 29
  81 13.6 136
  82 2.18 22
  83 26.9 269
  84 23.9 239
  85 4.8 48
  87 3.89 39
  88 4.2 42
  93 2.4 24
  94 3.5 35
  95 0.93 9
  96 33.2 332
  97 18.4 184
  98 16 160
  99 0.27 3
  100 1.1 11
  101 6 60
  106 1.1 11
  107 0.3 3
  108 1.3 13
  109 5.7 57
  110 9.6 96
  111 0.59 6
  112 1.6 16
  113 3.8 38
  114 5.1 51
  115 0.54 5
  116 1.1 11
  119 3.9 39
  122 6.9 69
  123 1.4 14
  124 34.5 345
  125 9 90
  127 2.5 25
  128 0.3 3
  129 1.8 18
  133 1.3 13
  137 9.4 94
  138 0.51 5
  141 2.4 24
  147 1.1 11
  148 5.5 55
  149 1.32 13
  150 1.6 16
  151 1.3 13
  155 1.9 19
  165 0.19 2
  166 11.8 118
  167 6.9 69
  198 4.2 42
//
