MassBank Record: KO001987



 Undecanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001987
RECORD_TITLE: Undecanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID U012

CH$NAME: Undecanoate CH$NAME: 1-Decanecarboxylic acid CH$NAME: Undecylic acid CH$NAME: Hendecanoic acid CH$NAME: n-Undecanoic acid CH$NAME: Undecanoic acid CH$NAME: n-Undecylic acid CH$NAME: n-Undecoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H22O2 CH$EXACT_MASS: 186.16198 CH$SMILES: CCCCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13) CH$LINK: CAS 112-37-8 CH$LINK: CHEBI 73650 CH$LINK: NIKKAJI J1.993C
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 185 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-052f-9000000000-4a1e2f342d24eb6ec79e PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 40.800 14851.5 333 42.300 19802.0 444 44.900 34653.5 777 59.100 44554.5 999 79.100 29703.0 666 //