ACCESSION: MSBNK-Keio_Univ-KO001111
RECORD_TITLE: 10-Hydroxydecanoic 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 H077

CH$NAME: 10-Hydroxydecanoate
CH$NAME: 10-Hydroxydecanoic acid
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C₁₀H₂₀O₃
CH$EXACT_MASS: 188.14124
CH$SMILES: OCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)
CH$LINK: CAS 1679-53-4
CH$LINK: CHEBI 17409
CH$LINK: KEGG C02774
CH$LINK: NIKKAJI J195.322B
CH$LINK: PUBCHEM SID:5726
CH$LINK: INCHIKEY YJCJVMMDTBEITC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10168428

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$FOCUSED_ION: PRECURSOR_M/Z 187
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-0900000000-91afea23a4f3b34b3897
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  113.000 14851.5 1
  127.200 29703.0 2
  143.400 19802.0 1
  159.000 14851.5 1
  187.300 14242588.5 999
//