MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002759
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
//