MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001783
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001783
RECORD_TITLE: OCTADECANOIC ACID HEXYL 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$NAME: OCTADECANOIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H48O2
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY
SMWDEDPRQFUXNH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8063042
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: splash10-00kr-3089000000-73eea3d895c1c24e084f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
61 8.62 86
63 0.91 9
67 0.79 8
69 0.5 5
70 0.25 3
71 3.61 36
73 3.6 36
79 0.37 4
81 1.27 13
83 6.08 61
84 16.62 166
85 10.71 107
97 1.61 16
129 0.85 9
220 19.27 193
223 0.59 6
265 2.13 21
267 6.21 62
268 1.2 12
283 5.82 58
285 90.72 907
286 15.99 160
287 1.69 17
367 12.59 126
368 9.86 99
369 99.99 999
370 27.39 274
371 4.08 41
409 0.66 7
//