ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001865
RECORD_TITLE: ETHYL 3-HYDROXYOCTADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 3-HYDROXYOCTADECANOATE
CH$NAME: ETHYL BETA-HYDROXYSTEARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₄₀O₃
CH$EXACT_MASS: 328.29775
CH$SMILES: CCCCCCCCCCCCCCCC(O)CC(=O)OCC
CH$IUPAC: InChI=1S/C20H40O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23-4-2/h19,21H,3-18H2,1-2H3
CH$LINK: INCHIKEY BXRPWBZYLZSTNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40598971

AC$INSTRUMENT: SHIMADZU QP-1000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-066u-9200000000-fb8fee5485b6ce2a5a9d
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  39 3.2 32
  40 1.3 13
  41 36 360
  42 11.1 111
  43 74 740
  44 8.3 83
  45 9 90
  47 2.6 26
  53 1.7 17
  54 4.5 45
  55 32.1 321
  56 9.3 93
  57 35.2 352
  58 3.3 33
  59 1.5 15
  60 7 70
  61 7.3 73
  67 8.6 86
  68 7.5 75
  69 17.4 174
  70 13.2 132
  71 37.5 375
  72 2.1 21
  73 7.1 71
  75 7.4 74
  79 1 10
  81 8.4 84
  82 7.8 78
  83 11.6 116
  84 5.5 55
  85 6.1 61
  86 1.1 11
  87 1.5 15
  88 20.5 205
  89 22.7 227
  95 6.1 61
  96 8.2 82
  97 8.4 84
  98 4 40
  99 2.9 29
  101 5.2 52
  109 2.9 29
  110 2.6 26
  111 3.6 36
  112 1.3 13
  114 1.1 11
  115 3.3 33
  116 1.1 11
  117 99.99 999
  118 5.4 54
  119 1.3 13
  123 1.8 18
  124 1.4 14
  125 1.3 13
  127 1.6 16
  128 1.2 12
  147 1.2 12
  149 3 30
  155 1.4 14
  213 1.3 13
  222 2.5 25
  239 1.2 12
  264 3.2 32
  265 2.1 21
  281 0.8 8
  310 0.9 9
//