ACCESSION: MSBNK-Keio_Univ-KO003320
RECORD_TITLE: Lidocaine; 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 L034

CH$NAME: Lidocaine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂N₂O
CH$EXACT_MASS: 234.17321
CH$SMILES: CCN(CC)CC(=O)Nc(c(C)1)c(C)ccc1
CH$IUPAC: InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
CH$LINK: KEGG C07073
CH$LINK: INCHIKEY NNJVILVZKWQKPM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1045166

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$FOCUSED_ION: PRECURSOR_M/Z 235
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-9000000000-343e9e6a26be64016b15
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  39.000 143564.5 2
  40.900 168317.0 2
  41.700 64356.5 1
  43.200 777228.5 8
  44.100 400990.5 4
  45.100 69307.0 1
  55.000 787129.5 8
  56.400 386139.0 4
  57.400 544555.0 6
  58.100 4801985.0 51
  59.300 153465.5 2
  63.300 113861.5 1
  67.200 39604.0 1
  68.100 89109.0 1
  69.200 6242580.5 66
  70.000 3173270.5 34
  71.000 569307.5 6
  71.900 410891.5 4
  73.000 673268.0 7
  74.200 222772.5 2
  77.200 123762.5 1
  79.200 321782.5 3
  80.700 14851.5 1
  83.400 158416.0 2
  84.400 232673.5 2
  86.200 94099104.0 999
  87.300 198020.0 2
  88.900 430693.5 5
  90.200 198020.0 2
  91.400 19802.0 1
  95.900 143564.5 2
  97.200 89109.0 1
  104.900 39604.0 1
  111.200 108911.0 1
  112.300 198020.0 2
  114.000 311881.5 3
  129.200 24752.5 1
  131.700 49505.0 1
  134.200 89109.0 1
  144.300 34653.5 1
  158.000 14851.5 1
//