ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002669
RECORD_TITLE: METHYL 2-HYDROXYTETRADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-HYDROXYTETRADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₃
CH$EXACT_MASS: 258.21949
CH$SMILES: CCCCCCCCCCCCC(O)C(=O)OC
CH$IUPAC: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14,16H,3-13H2,1-2H3
CH$LINK: INCHIKEY ATFSJSYRBAGGIS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20345900

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0002-9500000000-5d2203f8d632ad55fe9d
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  31 2.8 28
  32 36.1 361
  45 1.3 13
  56 3.7 37
  57 57.6 576
  58 0.27 3
  61 3.2 32
  66 2.1 21
  67 4.9 49
  68 0.8 8
  69 61.9 619
  70 6.4 64
  71 32.6 326
  72 0.24 2
  84 8.9 89
  85 26.3 263
  86 2.1 21
  87 0.6 6
  88 1.1 11
  89 2.5 25
  90 62.1 621
  91 0.23 2
  96 11.4 114
  97 99.99 999
  98 13.4 134
  99 0.95 10
  100 2 20
  101 1.9 19
  103 23.6 236
  104 0.15 2
  110 4.6 46
  111 62.3 623
  112 8.3 83
  113 1.2 12
  114 5.4 54
  115 1.4 14
  124 3.5 35
  125 31 310
  126 4 40
  127 1.82 18
  128 2 20
  129 1.2 12
  137 2.1 21
  138 3.6 36
  139 0.52 5
  141 4.1 41
  142 1.1 11
  143 1 10
  145 1.23 12
  154 2.8 28
  155 1.3 13
  156 0.32 3
  159 0.24 2
  170 1.1 11
  171 1.4 14
  197 22.2 222
  198 4.2 42
  199 79.7 797
  200 1.16 12
  201 1 10
  226 1.4 14
  258 10.6 106
  259 1.8 18
//