MassBank Record: KO001048



 2-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001048
RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9400000000-acfd79e3f78eb9bbdde9 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 35.400 242574.5 2 44.900 1024753.5 9 54.900 59406.0 1 58.100 49505.0 1 60.800 9901.0 1 72.900 118812.0 1 73.400 34653.5 1 80.800 74257.5 1 83.200 1752477.0 16 85.200 111455557.0 999 98.900 69307.0 1 99.500 29703.0 1 101.100 955446.5 9 113.000 3049508.0 27 129.300 2232675.5 20 130.400 480198.5 4 131.000 46703017.0 419 //