MassBank Record: KO001985



 Undecanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001985
RECORD_TITLE: Undecanoic acid; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 185 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0900000000-f871962b32a5d16913f8 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 59.000 84158.5 14 80.300 59406.0 10 83.000 34653.5 6 97.200 64356.5 10 101.900 34653.5 6 103.000 84158.5 14 124.500 19802.0 3 165.200 79208.0 13 167.100 400990.5 65 185.200 6158422.0 999 //