ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002759
RECORD_TITLE: 1,2-DIPALMITOYL 3-ACETYL GLYCEROL; 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$NAME: 1,2-DIPALMITOYL 3-ACETYL GLYCEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₇H₇₀O₆
CH$EXACT_MASS: 610.51724
CH$SMILES: O=C(OC(COC(=O)CCCCCCCCCCCCCCC)COC(C)=O)CCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C37H70O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36(39)42-33-35(32-41-34(3)38)43-37(40)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-33H2,1-3H3
CH$LINK: INCHIKEY YHNCVLUVISTFCT-UHFFFAOYSA-N

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-3469000000-eb5b0d24a3cc4faa66b3
PK$NUM_PEAK: 123
PK$PEAK: m/z int. rel.int.
  55 1.8 18
  57 4.8 48
  67 1.4 14
  69 0.45 5
  70 1.5 15
  71 8.8 88
  73 4 40
  81 0.4 4
  82 1.6 16
  83 7.9 79
  84 11 110
  85 0.96 10
  86 1.4 14
  95 7.7 77
  96 2.9 29
  97 0.91 9
  98 23.4 234
  99 5.7 57
  100 1.3 13
  107 0.11 1
  109 5.7 57
  110 1.7 17
  111 5.4 54
  112 1.15 12
  113 3.7 37
  115 1.9 19
  116 2.2 22
  117 4.55 46
  118 2.7 27
  121 1.6 16
  123 3.7 37
  124 0.11 1
  125 2.9 29
  126 3.6 36
  127 1.6 16
  129 0.27 3
  133 1.9 19
  135 2.7 27
  137 2.4 24
  139 0.14 1
  140 1.7 17
  141 1.5 15
  147 2.7 27
  149 0.12 1
  151 1.1 11
  154 1.9 19
  155 1.3 13
  158 2.88 29
  159 11.7 117
  168 1 10
  169 1 10
  171 2.83 28
  172 3.3 33
  177 2 20
  182 1.2 12
  185 0.37 4
  191 4.2 42
  192 1 10
  193 1.1 11
  199 0.15 2
  207 32.2 322
  208 6.7 67
  209 4.2 42
  210 0.1 1
  213 5.1 51
  221 3 30
  227 12 120
  228 0.24 2
  236 1.2 12
  237 1.9 19
  238 8.3 83
  239 8.05 81
  240 13.8 138
  241 3.4 34
  242 1 10
  255 0.32 3
  256 1.3 13
  265 1.5 15
  267 2.1 21
  269 0.42 4
  270 1.3 13
  280 2.8 28
  281 16.1 161
  282 0.45 5
  283 4.9 49
  284 1.6 16
  295 1.2 12
  297 0.28 3
  298 1 10
  299 1.7 17
  311 7.9 79
  312 0.37 4
  313 22.9 229
  314 4.6 46
  325 2.6 26
  326 0.12 1
  339 1.3 13
  341 5.2 52
  342 1.4 14
  353 0.24 2
  354 20.7 207
  355 99.99 999
  356 23.4 234
  357 0.33 3
  367 9.8 98
  368 2 20
  373 1.4 14
  396 0.28 3
  399 2.3 23
  409 1.6 16
  423 4.1 41
  424 0.16 2
  429 2.7 27
  430 1.1 11
  452 1 10
  465 0.12 1
  508 2.4 24
  509 1 10
  551 4.3 43
  552 0.16 2
  553 0.3 3
  577 0.1 1
  592 0.1 1
//