ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009735
RECORD_TITLE: 2-HYDROXYDODECANOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 2-HYDROXYDODECANOIC ACID METHYL ESTER
CH$NAME: METHYL 2-HIDROXYDODECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26O3
CH$EXACT_MASS: 230.18819
CH$SMILES: CCCCCCCCCCC(O)C(=O)OC
CH$IUPAC: InChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-10-11-12(14)13(15)16-2/h12,14H,3-11H2,1-2H3
CH$LINK: INCHIKEY NHEBEMJQYBPWNA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70337597
AC$INSTRUMENT: HITACHI M-80
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: splash10-00ea-9600000000-2983582378b1a745bb3d
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  43 5.81 58
  55 18.79 188
  56 1.56 16
  57 13.86 139
  61 1.47 15
  67 1.88 19
  68 2.05 21
  69 38.56 386
  70 3.26 33
  71 18.6 186
  72 1.22 12
  74 1.01 10
  76 2.16 22
  81 4.06 41
  82 4.87 49
  83 70.49 705
  84 6.69 67
  85 5.52 55
  87 4.29 43
  89 1.8 18
  90 35.61 356
  91 1.35 14
  95 6.01 60
  96 4.73 47
  97 99.99 999
  98 8.85 89
  99 1.06 11
  100 1.15 12
  101 1.55 16
  103 13.92 139
  104 1.47 15
  109 3.23 32
  110 2.61 26
  111 31.91 319
  112 3.18 32
  113 10.76 108
  114 5.07 51
  115 1.12 11
  123 1.6 16
  124 2.06 21
  125 2.62 26
  126 5.4 54
  127 15.22 152
  128 1.59 16
  137 1.2 12
  138 2.83 28
  141 4.21 42
  145 10.6 106
  151 1.23 12
  152 3.38 34
  153 2.79 28
  154 1.05 11
  156 2.51 25
  159 3.44 34
  169 1.25 13
  170 1.99 20
  171 93.74 937
  172 12.15 122
  173 1 10
  180 1.03 10
  185 3.21 32
  198 2.16 22
  230 4.48 45
  231 2.32 23
//
