MassBank Record: MSBNK-Kazusa-KZ000259
ACCESSION: MSBNK-Kazusa-KZ000259
RECORD_TITLE: Palmitic acid; GC-EI-TOF; MS; 1 TMS; BP:117
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01636_P000035
CH$NAME: Palmitic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C16H32O2
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
CH$LINK: CAS
57-10-3
CH$LINK: KEGG
C00249
CH$LINK: INCHIKEY
IPCSVZSSVZVIGE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021602
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2092.4
AC$CHROMATOGRAPHY: RETENTION_TIME 956.462 sec
MS$FOCUSED_ION: BASE_PEAK 117
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-014i-0901000000-51ee83f9462d25fa4045
PK$NUM_PEAK: 315
PK$PEAK: m/z int. rel.int.
82 1 1
83 48 48
84 18 18
85 18 18
86 14 14
89 7 7
90 5 5
91 1 1
92 1 1
93 9 9
94 2 2
95 47 47
96 4 4
97 37 37
98 35 35
99 23 23
100 3 3
103 2 2
105 34 34
106 9 9
107 14 14
108 2 2
109 13 13
111 17 17
112 11 11
113 6 6
114 3 3
115 1 1
116 59 59
117 999 999
118 99 99
119 41 41
120 4 4
121 4 4
122 2 2
123 8 8
124 3 3
125 6 6
126 5 5
128 3 3
129 443 443
130 53 53
131 146 146
132 334 334
133 68 68
134 18 18
135 7 7
136 2 2
137 2 2
138 2 2
139 1 1
140 3 3
141 3 3
142 2 2
143 23 23
144 7 7
145 197 197
146 27 27
147 6 6
148 1 1
149 1 1
150 2 2
151 2 2
152 1 1
153 5 5
154 3 3
155 5 5
156 1 1
157 3 3
158 4 4
159 22 22
160 3 3
161 3 3
162 3 3
163 3 3
164 1 1
165 3 3
166 3 3
167 2 2
168 4 4
169 3 3
170 2 2
171 16 16
172 3 3
173 9 9
174 5 5
175 2 2
176 1 1
177 2 2
178 1 1
179 2 2
181 1 1
183 3 3
184 3 3
185 21 21
186 4 4
187 14 14
188 7 7
189 2 2
190 2 2
191 2 2
193 2 2
194 2 2
195 6 6
196 2 2
197 1 1
198 2 2
199 2 2
200 2 2
201 32 32
202 8 8
203 4 4
204 2 2
206 1 1
207 1 1
208 1 1
209 1 1
210 2 2
211 2 2
212 2 2
213 3 3
214 6 6
215 5 5
216 4 4
217 1 1
218 1 1
220 2 2
223 1 1
224 1 1
225 2 2
226 1 1
227 4 4
228 1 1
229 7 7
230 1 1
231 1 1
232 1 1
233 1 1
237 3 3
238 3 3
240 2 2
241 3 3
243 5 5
244 2 2
246 1 1
250 2 2
252 1 1
253 1 1
254 1 1
255 2 2
256 1 1
257 4 4
258 3 3
260 2 2
263 1 1
265 1 1
266 3 3
268 2 2
269 8 8
270 1 1
271 4 4
273 1 1
274 2 2
275 2 2
277 2 2
278 2 2
279 2 2
280 1 1
281 1 1
283 4 4
284 1 1
285 6 6
286 2 2
287 2 2
288 1 1
289 1 1
291 2 2
292 1 1
293 1 1
294 1 1
295 2 2
296 1 1
297 1 1
299 1 1
300 1 1
301 1 1
304 1 1
305 1 1
306 1 1
307 3 3
309 1 1
311 1 1
312 9 9
313 140 140
314 40 40
315 10 10
316 3 3
317 2 2
318 1 1
319 2 2
320 1 1
321 3 3
323 2 2
324 1 1
325 2 2
326 3 3
328 9 9
329 1 1
330 2 2
331 2 2
332 2 2
333 1 1
334 2 2
337 2 2
339 2 2
340 1 1
341 3 3
342 1 1
344 1 1
345 3 3
346 2 2
347 1 1
349 2 2
350 2 2
351 1 1
352 1 1
353 2 2
355 3 3
356 1 1
358 2 2
359 1 1
361 4 4
362 2 2
365 2 2
366 1 1
368 2 2
371 1 1
374 4 4
376 1 1
377 1 1
378 1 1
379 2 2
380 2 2
381 1 1
382 1 1
383 2 2
384 2 2
385 1 1
386 2 2
387 2 2
388 2 2
389 3 3
390 1 1
391 1 1
392 1 1
394 2 2
395 1 1
396 2 2
397 1 1
398 1 1
400 3 3
401 1 1
402 2 2
406 1 1
407 1 1
408 1 1
410 2 2
411 1 1
413 2 2
417 2 2
418 1 1
420 2 2
423 2 2
425 1 1
426 1 1
429 1 1
430 1 1
431 1 1
432 2 2
433 2 2
434 1 1
435 2 2
438 1 1
441 2 2
442 2 2
443 1 1
444 2 2
445 1 1
446 2 2
448 1 1
450 1 1
451 2 2
452 1 1
457 1 1
460 2 2
461 1 1
462 2 2
470 3 3
472 2 2
473 1 1
475 1 1
476 1 1
478 1 1
481 2 2
482 2 2
485 2 2
488 1 1
489 1 1
490 1 1
491 2 2
494 2 2
496 2 2
497 1 1
498 1 1
500 1 1
//
