MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001774
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001774
RECORD_TITLE: OCTADECANOIC ACID BUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: OCTADECANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H44O2
CH$EXACT_MASS: 340.33413
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
CH$LINK: INCHIKEY
ULBTUVJTXULMLP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5027013
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0006-0039000000-94b9262a4efd51edb879
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
61 1.78 18
65 0.54 5
70 0.34 3
71 1.5 15
73 2.19 22
81 0.47 5
83 1.09 11
84 0.34 3
85 1.13 11
91 0.1 1
97 1 10
99 0.49 5
101 0.53 5
116 0.48 5
117 0.65 7
129 1.28 13
185 0.37 4
238 10.74 107
241 0.31 3
264 0.22 2
265 1.16 12
266 0.15 2
267 3.21 32
268 0.55 6
283 2.63 26
284 1.89 19
285 23.93 239
286 4.34 43
287 0.54 5
338 0.14 1
339 10.9 109
340 5.81 58
341 99.99 999
342 22.9 229
343 3.17 32
344 0.15 2
381 0.6 6
383 0.29 3
//