ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002672
RECORD_TITLE: METHYL 2-HYDROXYEICOSANOATE; 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$NAME: METHYL 2-HYDROXYEICOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₂O₃
CH$EXACT_MASS: 342.31340
CH$SMILES: CCCCCCCCCCCCCCCCCCC(O)C(=O)OC
CH$IUPAC: InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(23)24-2/h20,22H,3-19H2,1-2H3
CH$LINK: INCHIKEY ILUGNSBVAUHPIN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90392800

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$SPLASH: splash10-000t-9410000000-c773fde877b7ffcee51b
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  43 5.3 53
  44 2.2 22
  45 1.1 11
  54 0.1 1
  55 5.6 56
  56 3.1 31
  57 63.6 636
  58 0.36 4
  67 7.2 72
  68 17.2 172
  69 33.3 333
  70 0.7 7
  71 53.6 536
  72 4.3 43
  73 1.3 13
  74 0.51 5
  75 1.5 15
  76 4.2 42
  83 79.6 796
  84 11 110
  85 41.6 416
  86 0.38 4
  87 7.6 76
  88 1.7 17
  89 1.8 18
  90 8.03 80
  91 3.3 33
  95 17.5 175
  96 29.2 292
  97 99.99 999
  98 1.98 20
  99 19.6 196
  100 3.1 31
  101 0.28 3
  103 24.7 247
  104 0.22 2
  111 64.2 642
  112 9.2 92
  113 20.7 207
  114 0.82 8
  115 1.7 17
  122 1.2 12
  123 8.9 89
  124 7.3 73
  125 3.47 35
  126 4 40
  127 25.1 251
  128 3.2 32
  129 0.25 3
  138 7.4 74
  139 14.9 149
  140 2.5 25
  141 0.75 8
  142 2 20
  143 1.6 16
  145 21.2 212
  146 0.22 2
  151 2.7 27
  152 2.7 27
  153 8.2 82
  154 0.14 1
  155 2.2 22
  156 6.2 62
  157 0.14 1
  159 6.2 62
  166 1.1 11
  167 5.4 54
  168 1.1 11
  169 0.23 2
  170 2.4 24
  181 2.8 28
  182 1.2 12
  183 2.1 21
  196 1.4 14
  197 0.1 1
  222 0.1 1
  264 6.6 66
  265 0.19 2
  280 1.4 14
  281 28.2 282
  282 7 70
  283 5.94 59
  284 12.2 122
  285 0.14 1
  297 3.6 36
  344 1.5 15
//