ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006178
RECORD_TITLE: METHYL 2-HYDROXYDODECANOATE; 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$NAME: METHYL 2-HYDROXYDODECANOATE
CH$NAME: 2-HYDROXYLAURIC ACID METHYL ESTER
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$SPLASH: splash10-00ea-9600000000-e27a3c5bbc4e0749a41e
PK$NUM_PEAK: 62
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 4.27 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 2.6 26
  125 2.06 21
  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
  180 1.03 10
  185 3.21 32
  198 2.16 22
  231 2.32 23
//