MassBank Record: KO001081



 6-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: KO001081
RECORD_TITLE: 6-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 H061

CH$NAME: 6-Hydroxyhexanoate CH$NAME: 6-Hydroxyhexanoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O3 CH$EXACT_MASS: 132.07864 CH$SMILES: OCCCCCC(O)=O CH$IUPAC: InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9) CH$LINK: CAS 1191-25-9 CH$LINK: CHEBI 32383 CH$LINK: KEGG C06103 CH$LINK: NIKKAJI J262.001D CH$LINK: PUBCHEM SID:8367
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: splash10-0a4i-9000000000-a8088eacd86801cbaf62 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 45.100 5178223.0 9 52.800 24752.5 1 59.100 576460972.5 999 61.000 39604.0 1 63.100 2801983.0 5 67.100 64356.5 1 68.300 64356.5 1 71.000 1693071.0 3 75.100 143564.5 1 77.100 243411134.5 422 77.900 143564.5 1 78.700 346535.0 1 81.100 331683.5 1 85.400 1049506.0 2 87.300 212871.5 1 95.200 1465348.0 3 98.100 59406.0 1 99.000 405941.0 1 101.000 980199.0 2 111.200 39604.0 1 113.200 1584160.0 3 121.000 14851.5 1 128.800 103960.5 1 130.900 48173315.5 83 //