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MassBank Record: MSBNK-MSSJ-MSJ00827

Acetyl-L-carnitine; ESI-QTOF; MS; POSITIVE

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

ACCESSION: MSBNK-MSSJ-MSJ00827
RECORD_TITLE: Acetyl-L-carnitine; ESI-QTOF; MS; POSITIVE
DATE: 2021.11.17
AUTHORS: Atsushi Yamamoto, Faculty of Environmental Studies, Tottori University of Environmental Studies, 1-1, Wakabadai-kita, Tottori City, Tottori 689-1111, Japan.
LICENSE: CC BY
COPYRIGHT: Atsushi Yamamoto, Faculty of Environmental Studies, Tottori University of Environmental Studies, 1-1, Wakabadai-kita, Tottori City, Tottori 689-1111, Japan.
COMMENT: The sample was injected by direct infusion.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 21HP8020 to the Mass Spectrometry Society of Japan.

CH$NAME: Acetyl-L-carnitine
CH$COMPOUND_CLASS: Saturated fatty acyl-L-carnitine
CH$FORMULA: C9H17NO4
CH$EXACT_MASS: 203.11576
CH$SMILES: CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
CH$IUPAC: InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1
CH$LINK: CAS 3040-38-8
CH$LINK: CHEBI 57589
CH$LINK: CHEMSPIDER 5406074
CH$LINK: INCHIKEY RDHQFKQIGNGIED-MRVPVSSYSA-N
CH$LINK: PUBCHEM CID:7045767

AC$INSTRUMENT: X500R QTOF (AB Sciex LLC, USA)
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI

PK$SPLASH: splash10-0ufr-0190000000-0aed2899b4d83d185571
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  167.0308 671.3 357
  204.1219 1879.88 999
  205.1261 117.31 62
  226.1042 1165.33 619
//

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