MassBank Record: KO002559



 Carnitine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002559
RECORD_TITLE: Carnitine; 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 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$LINK: KEGG C00318 CH$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0ue9-8900000000-cf37f0a721cd52d86e8e PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 28.800 14851.5 1 41.100 143564.5 3 43.000 5905946.5 107 45.000 143564.5 3 57.100 4594064.0 83 58.100 811882.0 15 59.100 1356437.0 25 60.100 18643583.0 337 60.900 564357.0 10 67.200 69307.0 1 68.700 39604.0 1 70.800 34653.5 1 81.100 84158.5 2 84.300 94059.5 2 84.900 55203025.5 999 88.200 34653.5 1 88.900 9901.0 1 95.100 14851.5 1 99.200 39604.0 1 102.100 34678252.5 628 102.900 47331730.5 857 108.900 59406.0 1 112.800 29703.0 1 116.800 49505.0 1 118.500 29703.0 1 120.900 54455.5 1 144.300 59406.0 1 162.300 6801987.0 123 //