ACCESSION: MSBNK-Keio_Univ-KO002335
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-001i-9000000000-927d7aac32d7f4932aaa
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  43.000 1202971.5 3
  54.800 24752.5 1
  57.100 1757427.5 5
  58.100 455446.0 1
  59.200 485149.0 1
  60.100 12401002.5 35
  61.300 59406.0 1
  67.200 69307.0 1
  69.000 94059.5 1
  74.100 19802.0 1
  80.900 79208.0 1
  82.800 39604.0 1
  84.200 1554457.0 4
  84.900 356762733.0 999
  88.600 19802.0 1
  95.100 54455.5 1
  95.500 34653.5 1
  96.400 24752.5 1
  97.000 34653.5 1
  98.100 118812.0 1
  99.700 24752.5 1
  101.900 24752.5 1
  102.900 292079.5 1
  104.800 34653.5 1
  106.900 54455.5 1
  108.800 89109.0 1
  114.300 19802.0 1
  117.900 9901.0 1
  128.000 59406.0 1
  129.000 1569308.5 4
  131.600 39604.0 1
  141.900 24752.5 1
  144.200 5579213.5 16
  145.100 1801982.0 5
  157.300 19802.0 1
  159.300 79208.0 1
  162.100 123762.5 1
  171.400 24752.5 1
  186.400 9901.0 1
  204.200 1504952.0 4
//