MassBank Record: KO000123



 Azelaic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure


ACCESSION: KO000123
RECORD_TITLE: Azelaic 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 A063

CH$NAME: Azelaate CH$NAME: Azelaic acid CH$NAME: 1,7-Heptanedicarboxylic acid CH$NAME: Nonanedioic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H16O4 CH$EXACT_MASS: 188.10486 CH$SMILES: OC(=O)CCCCCCCC(O)=O CH$IUPAC: InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) CH$LINK: CAS 123-99-9 CH$LINK: KEGG C08261 CH$LINK: NIKKAJI J10.058G CH$LINK: PUBCHEM SID:10460
AC$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$FOCUSED_ION: PRECURSOR_M/Z 187 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0900000000-7980b5eadcca6ee1eadd PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 73.600 14851.5 1 86.100 79208.0 1 89.000 49505.0 1 97.400 148515.0 1 104.400 24752.5 1 111.200 287129.0 1 118.100 44554.5 1 124.900 4638618.5 15 127.300 123762.5 1 141.300 44554.5 1 143.100 69307.0 1 152.500 29703.0 1 155.200 49505.0 1 169.200 2430695.5 8 187.300 301039905.0 999 //