ACCESSION: MSBNK-EPA-ENTACT_AGILENT002115
RECORD_TITLE: 2-Hexyldecanoic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Hexyldecanoic acid
CH$NAME: DTXSID7044893
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.2402302654
CH$SMILES: CCCCCCCCC(CCCCCC)C(O)=O
CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
CH$LINK: CAS 25354-97-6
CH$LINK: INCHIKEY JMOLZNNXZPAGBH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:32912

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 255.2329538137
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0090000000-3fa2857acaa78f861f94
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
255.232954 99.999997 999
//