MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001776
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001776
RECORD_TITLE: EICOSANOIC 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$NAME: EICOSANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H48O2
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY
WZRBMKGXBAVSQL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3067239
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: splash10-014i-1009000000-cd099bf9b3d909cc3c00
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
65 3.71 37
66 0.7 7
67 2.49 25
70 0.16 2
71 1.73 17
73 7.91 79
79 0.85 9
81 1.38 14
83 1.39 14
85 1.86 19
91 0.33 3
265 5.28 53
293 1.46 15
295 3.13 31
311 1.66 17
312 1.55 16
313 32.65 327
314 6.48 65
367 10.49 105
369 99.99 999
370 23.17 232
371 3.34 33
//