ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006177
RECORD_TITLE: METHYL 3-HYDROXYTETRADECANOATE; 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$NAME: METHYL 3-HYDROXYTETRADECANOATE
CH$NAME: 3-HYDROXYTETRADECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₃
CH$EXACT_MASS: 258.21949
CH$SMILES: CCCCCCCCCCCC(O)CC(=O)OC
CH$IUPAC: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14,16H,3-13H2,1-2H3
CH$LINK: INCHIKEY UOZZAMWODZQSOA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50971039

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$SPLASH: splash10-0udi-9800000000-312899c6ad4ef25a6936
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  41 1.56 16
  42 1 10
  43 14.98 150
  44 1.6 16
  54 1.03 10
  55 5.42 54
  56 2.14 21
  57 6.43 64
  59 3.14 31
  61 9.32 93
  67 1.24 12
  68 2.42 24
  69 5.33 53
  70 1.98 20
  71 11.03 110
  74 24.85 249
  75 7.9 79
  81 1.98 20
  82 2.78 28
  83 5.44 54
  84 3.9 39
  85 2.26 23
  87 3.36 34
  95 2.54 25
  96 5.29 53
  97 5.13 51
  98 2.85 29
  100 1.11 11
  101 4.64 46
  102 1.97 20
  103 99.99 999
  104 4.05 41
  105 1.12 11
  109 1.44 14
  110 2.65 27
  111 3.09 31
  113 1.32 13
  114 1.45 15
  115 1.36 14
  124 1.81 18
  128 1.4 14
  166 2.67 27
  183 1.37 14
  208 1.51 15
  240 0.42 4
  258 0.25 3
//