ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002674
RECORD_TITLE: METHYL 2-HYDROXYTETRACOSANOATE; 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$NAME: METHYL 2-HYDROXYTETRACOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₅₀O₃
CH$EXACT_MASS: 398.37600
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)OC
CH$IUPAC: InChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25(27)28-2/h24,26H,3-23H2,1-2H3
CH$LINK: INCHIKEY MSVLAXSCPVNLFM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60393884

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$SPLASH: splash10-0012-9501000000-4af732d23790fa342a85
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  31 5.5 55
  32 60.5 605
  40 2.4 24
  54 1.4 14
  55 4.1 41
  56 3.7 37
  57 5.98 60
  58 3.1 31
  66 7.1 71
  67 9.4 94
  68 20.7 207
  69 2.33 23
  70 6.5 65
  71 56.6 566
  72 4.2 42
  73 0.28 3
  74 5.7 57
  75 2.3 23
  76 3.7 37
  78 0.12 1
  83 67.9 679
  84 12.3 123
  85 44.7 447
  86 0.35 4
  87 7.1 71
  88 1.6 16
  89 1.8 18
  90 8.51 85
  91 3.1 31
  95 23.2 232
  96 46.8 468
  97 99.99 999
  98 2.6 26
  99 23.8 238
  100 4.6 46
  101 0.24 2
  103 22.8 228
  104 0.16 2
  108 2 20
  109 16.6 166
  110 15 150
  111 6.17 62
  112 9.7 97
  113 24 240
  114 9.2 92
  115 0.21 2
  123 13.6 136
  124 11.5 115
  125 36.6 366
  126 0.53 5
  127 28.5 285
  128 4 40
  129 0.24 2
  131 1.1 11
  132 0.42 4
  135 1.8 18
  136 1.6 16
  137 10.4 104
  138 0.92 9
  139 19.3 193
  140 3.2 32
  141 11 110
  142 0.21 2
  143 2.5 25
  145 23.2 232
  146 0.2 2
  150 1.1 11
  151 4.3 43
  152 4.5 45
  153 1.14 11
  154 2.2 22
  155 5.4 54
  156 8 80
  157 0.18 2
  159 9 90
  167 5 50
  168 1.3 13
  169 4.3 43
  170 0.41 4
  171 1.6 16
  182 1 10
  183 0.33 3
  193 1 10
  194 1.3 13
  195 0.29 3
  197 2.5 25
  209 2.2 22
  223 1.5 15
  239 1.8 18
  252 1.3 13
  253 1 10
  292 2.2 22
  320 10.6 106
  321 0.28 3
  338 10.1 101
  339 58 580
  340 14.2 142
  341 0.2 2
  348 1 10
  399 25.8 258
  400 4 40
//