ACCESSION: MSBNK-Keio_Univ-KO002786
RECORD_TITLE: Na,Na-Dimethylhistidine; 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 D131

CH$NAME: Na,Na-Dimethylhistidine
CH$NAME: Nalpha,Nalpha-Dimethyl-L-histidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₃N₃O₂
CH$EXACT_MASS: 183.10078
CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O
CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1
CH$LINK: CHEBI 16029
CH$LINK: KEGG C04259
CH$LINK: PUBCHEM SID:6924
CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N
CH$LINK: COMPTOX DTXSID60947821

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$FOCUSED_ION: PRECURSOR_M/Z 184
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-0900000000-5b79305218cda989d86a
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
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  66.600 34653.5 1
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  95.000 301980.5 2
  95.800 29703.0 1
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  102.100 267327.0 2
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  105.000 99010.0 1
  106.100 39604.0 1
  107.300 128713.0 1
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  112.400 19802.0 1
  114.100 64356.5 1
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  120.200 39604.0 1
  122.300 1242575.5 9
  123.400 178218.0 1
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  131.100 143564.5 1
  133.900 138614.0 1
  135.200 940595.0 7
  137.000 39604.0 1
  138.300 7509908.5 53
  140.100 891090.0 6
  148.100 64356.5 1
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  152.100 742575.0 5
  153.900 9901.0 1
  166.000 138614.0 1
  167.300 4485153.0 32
  183.700 1074258.5 8
  184.200 141856577.5 999
//