MassBank Record: JP001790



 CIS-9-OCTADECENOIC ACID BUTYL ESTER; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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-
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 //