ACCESSION: MSBNK-Keio_Univ-KO002337
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A143

CH$NAME: O-Acetylcarnitine
CH$NAME: O-Acetyl-L-carnitine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈NO₄⁺
CH$EXACT_MASS: 204.12358
CH$SMILES: CC(=O)O[C@@H](CC(O)=O)C[N+1](C)(C)C
CH$IUPAC: InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1/t8-/m0/s1
CH$LINK: CHEBI 15960
CH$LINK: KEGG C02571
CH$LINK: PUBCHEM SID:5567
CH$LINK: INCHIKEY RDHQFKQIGNGIED-QMMMGPOBSA-O

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 205
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-9000000000-724e03c7a08e09d1be52
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  29.300 69307.0 1
  39.200 59406.0 1
  41.100 99010.0 2
  43.000 3960400.0 73
  43.900 118812.0 2
  44.900 361386.5 7
  55.000 9901.0 1
  57.300 4267331.0 79
  58.200 1529704.5 28
  59.200 500000.5 9
  60.100 3886142.5 72
  61.100 113861.5 2
  67.000 94059.5 2
  68.900 29703.0 1
  70.000 44554.5 1
  78.400 24752.5 1
  84.300 4465351.0 82
  85.100 54163420.5 999
  102.500 24752.5 1
  105.900 14851.5 1
  116.900 34653.5 1
  128.900 74257.5 1
//