ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005632
RECORD_TITLE: GLYCEROL TRILAURATE; 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$NAME: GLYCEROL TRILAURATE
CH$NAME: TRILAURIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₉H₇₄O₆
CH$EXACT_MASS: 638.54854
CH$SMILES: C(CCCCCCC)CCCC(=O)OCC(OC(CCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCC
CH$IUPAC: InChI=1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3
CH$LINK: INCHIKEY VMPHSYLJUKZBJJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80904390

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$SPLASH: splash10-001l-3751900000-186ab5f4aeb9dcd0e97b
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  27 1.32 13
  28 1.68 17
  29 1.01 10
  41 2.11 21
  42 1.44 14
  43 3.68 37
  45 1 10
  55 3.75 38
  56 2.07 21
  57 6.28 63
  60 2.85 29
  69 2.26 23
  70 1.68 17
  71 4.41 44
  73 3.09 31
  81 1.22 12
  83 2.76 28
  84 7.1 71
  85 4.9 49
  95 2.5 25
  97 2.65 27
  98 11.92 119
  99 1.84 18
  109 1.65 17
  111 1.73 17
  112 6.14 61
  113 1.47 15
  117 1.4 14
  126 2.88 29
  129 1.85 19
  140 1.5 15
  157 1.24 12
  158 5.75 58
  171 4.16 42
  181 1 10
  182 8.41 84
  183 99.99 999
  184 13.53 135
  185 1.73 17
  199 1 10
  200 1.5 15
  213 1.27 13
  224 2.17 22
  227 2.42 24
  238 1.03 10
  243 1.23 12
  255 8.96 90
  256 5.58 56
  258 38.53 385
  259 6.67 67
  275 1.67 17
  298 22.36 224
  299 13.98 140
  300 2.5 25
  311 8.71 87
  312 1.78 18
  317 1.29 13
  353 1.66 17
  354 1 10
  367 3.72 37
  381 1.17 12
  395 2.71 27
  396 1.17 12
  409 1.56 16
  410 1.51 15
  425 11.71 117
  426 3.4 34
  437 3.16 32
  439 40.69 407
  440 88.15 882
  441 24.2 242
  442 4.15 42
  457 3.43 34
  458 1.14 11
  480 2.08 21
  499 2.64 26
  620 0.41 4
  638 0.43 4
  639 0.21 2
//