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MassBank Record: MSBNK-RIKEN_ReSpect-PT111210

Lignoceric acid , Carboxylic Acid C24, Tetracosaoic acid, tetracosanoic acid; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT111210
RECORD_TITLE: Lignoceric acid , Carboxylic Acid C24, Tetracosaoic acid, tetracosanoic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Lignoceric acid
CH$NAME: Carboxylic Acid C24
CH$NAME: Tetracosaoic acid
CH$NAME: tetracosanoic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Lignoceric acid
CH$FORMULA: C24H48O2
CH$EXACT_MASS: 368.646
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
CH$IUPAC: InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
CH$LINK: CAS 557-59-5
CH$LINK: INCHIKEY QZZGJDVWLFXDLK-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 369.37321

PK$SPLASH: splash10-0a4i-0900000000-3c3e69329be8a7148076
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  99.5365 10.69 77
  105.097 138.8 999
  147.1068 7.806 56
  369.2571 16.15 116
//

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