ACCESSION: MSBNK-Keio_Univ-KO004147
RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQ; MS2; CE:10 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 T032

CH$NAME: Tyrosine methyl ester
CH$NAME: L-Tyrosine methyl ester
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃NO₃
CH$EXACT_MASS: 195.08954
CH$SMILES: COC(=O)C(N)Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
CH$LINK: CAS 1080-06-4
CH$LINK: CHEBI 17215
CH$LINK: KEGG C03404
CH$LINK: NIKKAJI J5.190J
CH$LINK: PUBCHEM SID:6233
CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID40148354

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 196
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-002b-0900000000-fc7f99a9ad75d88f3976
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  49.900 24752.5 2
  77.800 237624.0 16
  99.800 460396.5 30
  106.600 19802.0 1
  119.100 178218.0 12
  119.800 14851.5 1
  121.300 29703.0 2
  132.100 24752.5 2
  135.900 1702972.0 112
  137.000 222772.5 15
  137.400 79208.0 5
  146.200 89109.0 6
  147.100 168317.0 11
  161.100 351485.5 23
  164.300 123762.5 8
  178.100 64356.5 4
  179.200 7767334.5 510
  196.100 15212886.5 999
//