MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001790
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001790
RECORD_TITLE: CIS-9-OCTADECENOIC 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$NAME: CIS-9-OCTADECENOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H42O2
CH$EXACT_MASS: 338.31848
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
CH$LINK: INCHIKEY
WIBFFTLQMKKBLZ-SEYXRHQNSA-N
CH$LINK: COMPTOX
DTXSID7027099
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: splash10-000i-1019000000-895c7df9bb1bbb45c1bf
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
65 0.39 4
67 1.1 11
69 1.6 16
70 1.46 15
73 1.5 15
79 0.28 3
81 0.74 7
83 2.8 28
84 0.82 8
85 0.58 6
95 1.24 12
97 2.72 27
98 0.79 8
111 1.57 16
199 0.27 3
263 2.2 22
264 4.23 42
265 5.39 54
266 0.8 8
283 4.56 46
284 0.63 6
337 2.59 26
339 99.99 999
340 22.12 221
341 4.33 43
381 0.27 3
//