MassBank Record: KO002557

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Carnitine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002557
RECORD_TITLE: Carnitine; LC-ESI-QQ; MS2; CE:10 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 C041

CH$NAME: Carnitine
CH$NAME: 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner
CH$NAME: Vitamin BT
CH$NAME: L-gamma-Trimethyl-beta-hydroxybutyrobetaine
CH$NAME: Levocarnitine
CH$NAME: L-Carnitine
CH$NAME: (R)-Carnitine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H15NO3
CH$EXACT_MASS: 161.10519
CH$SMILES: [O-1]C(=O)CC(O)C[N+1](C)(C)C
CH$IUPAC: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1
CH$LINK: CAS 541-15-1
CH$LINK: CHEBI 16347
CH$LINK: COMPTOX DTXSID4023208
CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N
CH$LINK: KEGG C00318
CH$LINK: NIKKAJI J9.362I
CH$LINK: PUBCHEM SID:3612

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 163
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-0900000000-9b579c570aab7c7d3a21
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  54.2 128713.0 1.0
  60.2 158416.0 1.0
  71.6 39604.0 1.0
  75.9 44554.5 1.0
  79.9 54455.5 1.0
  85.2 371288.0 1.0
  89.2 103960.0 1.0
  98.9 89109.0 1.0
  102.0 990100.0 2.0
  103.2 3440600.0 6.0
  104.4 19802.0 1.0
  108.4 24752.5 1.0
  109.0 173268.0 1.0
  111.2 59406.0 1.0
  111.7 49505.0 1.0
  113.3 59406.0 1.0
  127.1 945546.0 2.0
  130.2 99010.0 1.0
  144.6 94059.5 1.0
  145.3 2549510.0 5.0
  162.2 5.65184E8 999.0
//