ACCESSION: MSBNK-Metabolon-MT000079
RECORD_TITLE: Tyrosine; LC-ESI-IT; MS2; m/z: 182.1; [M+H]+
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Tyrosine
CH$COMPOUND_CLASS: Natural Product; Amino acids
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: HMDB HMDB00158
CH$LINK: KEGG C00082
CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID1023730

AC$INSTRUMENT: LTQ XL, Thermo Finnigan
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 182.1
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-014i-0900000000-e698098d8d8b04bbcc40
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  105.1 0.1 1
  136.1 24.7 247
  137.2 0.4 4
  147.1 0.3 3
  149.1 0.2 2
  154.1 5.3 53
  155.1 0.4 4
  163.1 0.2 2
  164.1 0.3 3
  165.1 100.0 999
  166.1 1.3 13
  182.1 0.4 4
//