ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009737
RECORD_TITLE: 3-HYDROXYTETRADECANOIC 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$NAME: 3-HYDROXYTETRADECANOIC ACID METHYL ESTER
CH$NAME: METHYL 3-HYDROXYTETRADECANOATE
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-9800000000-2d989dc5ad3c98ab2927
PK$NUM_PEAK: 49
PK$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
  58 1 10
  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
  127 1 10
  128 1.4 14
  166 2.67 27
  167 1 10
  183 1.37 14
  208 1.51 15
  240 0.42 4
  257 0.25 3
  258 0.08 1
//
