ACCESSION: MSBNK-Keio_Univ-KO004068
RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:20 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 T002

CH$NAME: Tyr
CH$NAME: (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid
CH$NAME: L-Tyrosine
CH$NAME: (S)-3-(p-Hydroxyphenyl)alanine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁NO₃
CH$EXACT_MASS: 181.07389
CH$SMILES: OC(=O)C(N)Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
CH$LINK: CAS 60-18-4
CH$LINK: CHEBI 17895
CH$LINK: CHEMPDB TYR
CH$LINK: KEGG C00082
CH$LINK: NIKKAJI J9.173A
CH$LINK: PUBCHEM SID:3382
CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID1023730

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 182
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00ri-0900000000-b536ea8de6f7d020ec0e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  49.900 29703.0 9
  59.300 54455.5 17
  68.800 24752.5 8
  77.800 69307.0 21
  82.900 9901.0 3
  89.200 94059.5 29
  90.900 237624.0 72
  94.900 59406.0 18
  100.900 34653.5 11
  102.900 163366.5 50
  104.900 113861.5 35
  106.900 54455.5 17
  119.200 960397.0 293
  121.000 405941.0 124
  121.400 183168.5 56
  123.300 1391090.5 424
  133.200 29703.0 9
  136.100 3277231.0 999
  147.000 688119.5 210
  150.300 69307.0 21
  164.000 74257.5 23
  165.200 1272278.5 388
  182.100 336634.0 103
//