ACCESSION: MSBNK-Keio_Univ-KO004070
RECORD_TITLE: L-Tyrosine; 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 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 40 V

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

PK$SPLASH: splash10-0006-9200000000-39be21ca2f5d4dc1d587
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  45.200 44554.5 16
  77.000 425743.0 152
  78.900 44554.5 16
  91.000 2801983.0 999
  94.100 79208.0 28
  95.000 628713.5 224
  102.800 44554.5 16
  105.900 34653.5 12
  107.000 257426.0 92
  108.900 29703.0 11
  117.100 64356.5 23
  118.200 84158.5 30
  119.100 297030.0 106
  120.800 113861.5 41
  122.300 163366.5 58
  123.300 99010.0 35
  135.700 49505.0 18
  167.200 29703.0 11
//