MassBank Record: KO001983



 Undecanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001983
RECORD_TITLE: Undecanoic acid; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 185 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0900000000-70bc980554bccc2d565f PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 59.100 89109.0 1 60.900 54455.5 1 78.600 14851.5 1 101.300 49505.0 1 103.200 133663.5 1 122.700 49505.0 1 124.000 79208.0 1 124.700 173267.5 1 148.500 54455.5 1 166.800 44554.5 1 185.200 615659031.5 999 203.200 267327.0 1 357.100 9901.0 1 //