ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005634
RECORD_TITLE: GLYCEROL TRIPALMITATE; 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$NAME: GLYCEROL TRIPALMITATE
CH$NAME: TRIPALMITIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅₁H₉₈O₆
CH$EXACT_MASS: 806.73634
CH$SMILES: C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CC
CH$IUPAC: InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
CH$LINK: INCHIKEY PVNIQBQSYATKKL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8046169

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$SPLASH: splash10-0udr-4266090000-d72def42ee8b15e7d8ab
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
  27 1 10
  29 1.01 10
  41 1.54 15
  42 1.1 11
  43 4.08 41
  55 3.05 31
  56 1.79 18
  57 8.53 85
  60 3.08 31
  69 3.06 31
  70 1.6 16
  71 7.09 71
  73 3.94 39
  81 1.77 18
  82 1.15 12
  83 4.71 47
  84 8.35 84
  85 6.15 62
  87 1 10
  95 3.49 35
  96 1.33 13
  97 4.22 42
  98 16.84 168
  99 2.56 26
  100 1.02 10
  109 2.38 24
  111 2.61 26
  112 8.02 80
  113 2.69 27
  115 1.06 11
  116 1.3 13
  117 2.08 21
  123 1.43 14
  125 1.29 13
  126 3.08 31
  127 1.42 14
  129 3.22 32
  137 1 10
  140 1.66 17
  141 1.31 13
  154 2.1 21
  155 1.27 13
  158 5.41 54
  159 1.24 12
  162 2.94 29
  168 1.31 13
  169 1.02 10
  171 5.25 53
  182 1.25 13
  183 1 10
  185 1.61 16
  196 1.01 10
  213 2.15 22
  236 1.23 12
  237 1.32 13
  238 11.94 119
  239 99.99 999
  240 17.67 177
  241 2.36 24
  255 1.07 11
  256 2.1 21
  269 1.09 11
  280 2.61 26
  281 1.23 12
  283 1.02 10
  294 1.02 10
  299 1.23 12
  311 4.89 49
  312 4.72 47
  313 53.94 539
  314 11.6 116
  315 1.61 16
  331 1.88 19
  339 1.83 18
  354 22.75 228
  355 15.93 159
  356 3.17 32
  367 12.43 124
  368 3.17 32
  381 1.01 10
  409 1.69 17
  423 4.92 49
  424 2.69 27
  437 1.33 13
  438 1 10
  451 1.53 15
  465 1.68 17
  466 1.02 10
  479 1.44 14
  496 1 10
  497 1 10
  508 3 30
  509 1.37 14
  522 1.34 13
  523 1.34 13
  538 5.15 52
  539 2.05 21
  550 5.03 50
  551 42.52 425
  552 94.06 941
  553 33.51 335
  554 7.08 71
  555 1.28 13
  570 1 10
  593 2.08 21
  594 1.01 10
  596 1.02 10
  611 2.07 21
  612 1 10
  788 0.35 4
  806 0.34 3
  807 0.21 2
//