MassBank Record: KO001083



 6-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: KO001083
RECORD_TITLE: 6-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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-76288a084d6a02586a2c PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 26.300 19802.0 1 35.200 59406.0 1 45.100 3391092.5 13 54.800 24752.5 1 58.200 376238.0 1 59.100 255544810.0 999 60.300 306931.0 1 69.000 168317.0 1 71.000 153465.5 1 75.800 29703.0 1 76.900 183168.5 1 80.900 19802.0 1 83.100 277228.0 1 85.400 1856437.5 7 100.000 79208.0 1 101.200 306931.0 1 //