ACCESSION: MSBNK-Keio_Univ-KO004069
RECORD_TITLE: L-Tyrosine; 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 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 30 V

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

PK$SPLASH: splash10-00r6-5900000000-5038b0b81cef20042492
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  44.900 19802.0 9
  59.200 49505.0 23
  62.800 14851.5 7
  68.900 24752.5 12
  77.300 44554.5 21
  80.900 24752.5 12
  91.000 2123764.5 999
  93.800 54455.5 26
  95.100 678218.5 319
  97.300 9901.0 5
  103.000 54455.5 26
  105.200 128713.0 61
  107.000 89109.0 42
  108.900 59406.0 28
  114.400 14851.5 7
  117.800 39604.0 19
  118.000 94059.5 44
  119.100 1386140.0 652
  121.200 282178.5 133
  122.100 420792.5 198
  123.100 960397.0 452
  135.900 900991.0 424
  146.800 183168.5 86
  182.000 29703.0 14
//