ACCESSION: MSBNK-Keio_Univ-KO002334
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0f79-9150000000-61a6fae0029289488fc0
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  49.900 99010.0 1
  56.900 54455.5 1
  58.200 34653.5 1
  60.100 7638621.5 28
  61.400 19802.0 1
  68.800 24752.5 1
  69.400 14851.5 1
  71.000 44554.5 1
  72.800 14851.5 1
  75.000 49505.0 1
  78.200 64356.5 1
  80.900 29703.0 1
  83.000 34653.5 1
  85.000 271926014.5 999
  86.300 9901.0 1
  95.200 19802.0 1
  97.900 49505.0 1
  99.800 69307.0 1
  102.800 79208.0 1
  109.000 108911.0 1
  123.000 49505.0 1
  125.200 39604.0 1
  127.100 252475.5 1
  129.100 123762.5 1
  138.300 49505.0 1
  140.300 49505.0 1
  141.000 19802.0 1
  141.500 54455.5 1
  144.100 9014860.5 33
  145.200 45722818.0 168
  155.100 94059.5 1
  159.000 99010.0 1
  169.100 138614.0 1
  186.200 49505.0 1
  187.100 158416.0 1
  204.300 156807087.5 576
//