MassBank Record: KO001047



 2-Hydroxyhexanoic 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: KO001047
RECORD_TITLE: 2-Hydroxyhexanoic 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 H036

CH$NAME: 2-Hydroxyhexanoate CH$NAME: 2-Hydroxyhexanoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O3 CH$EXACT_MASS: 132.07864 CH$SMILES: CCCCC(O)C(O)=O CH$IUPAC: InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9) CH$LINK: CAS 6064-63-7 CH$LINK: NIKKAJI J227.277F CH$LINK: PUBCHEM SID:12087611
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 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-e7e9ac132b84240918a7 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 58.700 19802.0 1 83.400 49505.0 1 85.200 14074271.5 32 99.000 287129.0 1 100.800 920793.0 2 112.900 698020.5 2 128.900 509901.5 1 130.400 5415847.0 12 131.000 439069746.0 999 148.800 49505.0 1 //