ACCESSION: MSBNK-Keio_Univ-KO002336
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-000i-9000000000-655718c5b85128fa7468
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  41.100 64356.5 1
  43.100 4465351.0 24
  44.900 118812.0 1
  55.400 29703.0 1
  57.200 5430698.5 29
  58.200 1386140.0 7
  59.200 1084159.5 6
  60.200 8752484.0 46
  61.200 118812.0 1
  66.900 74257.5 1
  69.100 59406.0 1
  69.400 34653.5 1
  80.900 74257.5 1
  82.900 39604.0 1
  84.100 6207927.0 33
  85.000 188807119.5 999
  90.700 39604.0 1
  95.800 39604.0 1
  98.100 74257.5 1
  99.800 19802.0 1
  101.900 64356.5 1
  103.100 138614.0 1
  108.100 24752.5 1
  116.800 19802.0 1
  129.000 905941.5 5
  132.000 34653.5 1
  143.800 128713.0 1
  144.200 747525.5 4
//