ACCESSION: MSBNK-Keio_Univ-KO003319
RECORD_TITLE: Lidocaine; 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 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 30 V

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

PK$SPLASH: splash10-000i-9000000000-3f33ed4d35a979dbd732
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  39.200 173267.5 1
  40.700 24752.5 1
  42.300 29703.0 1
  43.100 480198.5 4
  43.900 292079.5 2
  46.200 84158.5 1
  55.100 549505.5 4
  56.100 212871.5 2
  57.200 688119.5 5
  58.300 960397.0 7
  59.200 89109.0 1
  63.200 222772.5 2
  67.900 34653.5 1
  69.200 8663375.0 66
  70.100 5168322.0 39
  71.200 1316833.0 10
  72.200 896040.5 7
  73.000 1064357.5 8
  73.900 376238.0 3
  76.900 331683.5 3
  78.800 222772.5 2
  80.900 14851.5 1
  83.200 287129.0 2
  84.200 326733.0 2
  85.300 420792.5 3
  86.200 131000131.0 999
  87.000 222772.5 2
  89.000 1559407.5 12
  90.200 643565.0 5
  96.300 297030.0 2
  97.100 183168.5 1
  97.500 29703.0 1
  101.800 19802.0 1
  104.000 173267.5 1
  104.900 29703.0 1
  107.000 29703.0 1
  108.800 49505.0 1
  111.300 2193071.5 17
  112.100 4193073.5 32
  114.000 1287130.0 10
  115.300 123762.5 1
  120.800 34653.5 1
  122.800 44554.5 1
  129.100 183168.5 1
  130.100 301980.5 2
  132.100 579208.5 4
  134.100 64356.5 1
  147.200 44554.5 1
  151.100 39604.0 1
  162.500 9901.0 1
  203.300 59406.0 1
  235.400 386139.0 3
//