MassBank Record: PR100396



 O-Acetyl-L-carnitine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100396
RECORD_TITLE: O-Acetyl-L-carnitine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: O-Acetyl-L-carnitine CH$NAME: ALC CH$NAME: ALCAR CH$NAME: L-Carnitine acetyl ester CH$NAME: (R)-3-Acetoxy-4-(trimethylammonio)butyrate CH$NAME: Levacecarnine CH$COMPOUND_CLASS: Carnitine CH$FORMULA: [C9H18NO4]+ CH$EXACT_MASS: 204.12358 CH$SMILES: CC(=O)O[C@H](CC(O)=O)C[N+1](C)(C)C CH$IUPAC: InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1/t8-/m1/s1 CH$LINK: CAS 14992-62-2 CH$LINK: CHEMSPIDER 388815 CH$LINK: KEGG C02571 CH$LINK: PUBCHEM CID:439756 CH$LINK: INCHIKEY RDHQFKQIGNGIED-MRVPVSSYSA-O
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DATE 2008.07.28 AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000) AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH) / H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 204.12355 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$SPLASH: splash10-000i-9130000000-e1b9918cf899fd3baa37 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 85.0299 7488 999 145.0539 1061 142 204.1236 2527 337 //