MassBank Record: KO001049



 2-Hydroxyhexanoic 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: KO001049
RECORD_TITLE: 2-Hydroxyhexanoic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9000000000-174fc428947a51fb1c48 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 35.300 123762.5 7 45.200 400990.5 24 55.400 336634.0 20 55.800 34653.5 2 57.500 99010.0 6 58.900 29703.0 2 69.300 9901.0 1 73.000 103960.5 6 73.300 59406.0 4 81.400 386139.0 23 83.300 2866339.5 173 84.000 217822.0 13 85.200 16554472.0 999 100.100 39604.0 2 100.900 178218.0 11 113.400 301980.5 18 129.200 113861.5 7 131.000 396040.0 24 //