ACCESSION: MSBNK-EPA-ENTACT_AGILENT001828
RECORD_TITLE: 16-Methylheptadecanoic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 16-Methylheptadecanoic acid
CH$NAME: DTXSID1040790
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆O₂
CH$EXACT_MASS: 284.271530393
CH$SMILES: CC(C)CCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
CH$LINK: CAS 2724-58-5
CH$LINK: INCHIKEY XDOFQFKRPWOURC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21859

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$FOCUSED_ION: PRECURSOR_M/Z 283.2642539413
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0090000000-e1030bb9e76e8ef0831c
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
283.264254 100.000003 999
//