MassBank Record: KO004068

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L-Tyrosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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$LINK: COMPTOX DTXSID1023730
CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N
CH$LINK: KEGG C00082
CH$LINK: NIKKAJI J9.173A
CH$LINK: PUBCHEM SID:3382

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.
  49.9 29703.0 9.0
  59.3 54455.5 17.0
  68.8 24752.5 8.0
  77.8 69307.0 21.0
  82.9 9901.0 3.0
  89.2 94059.5 29.0
  90.9 237624.0 72.0
  94.9 59406.0 18.0
  100.9 34653.5 11.0
  102.9 163366.0 50.0
  104.9 113862.0 35.0
  106.9 54455.5 17.0
  119.2 960397.0 293.0
  121.0 405941.0 124.0
  121.4 183168.0 56.0
  123.3 1391090.0 424.0
  133.2 29703.0 9.0
  136.1 3277230.0 999.0
  147.0 688120.0 210.0
  150.3 69307.0 21.0
  164.0 74257.5 23.0
  165.2 1272280.0 388.0
  182.1 336634.0 103.0
//