MassBank Record: KO004147

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Tyrosine methyl ester; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: 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: COMPTOX DTXSID40148354
CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N
CH$LINK: KEGG C03404
CH$LINK: NIKKAJI J5.190J
CH$LINK: PUBCHEM SID:6233

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.
  49.9 24752.5 2.0
  77.8 237624.0 16.0
  99.8 460396.0 30.0
  106.6 19802.0 1.0
  119.1 178218.0 12.0
  119.8 14851.5 1.0
  121.3 29703.0 2.0
  132.1 24752.5 2.0
  135.9 1702970.0 112.0
  137.0 222772.0 15.0
  137.4 79208.0 5.0
  146.2 89109.0 6.0
  147.1 168317.0 11.0
  161.1 351486.0 23.0
  164.3 123762.0 8.0
  178.1 64356.5 4.0
  179.2 7767330.0 510.0
  196.1 1.52129E7 999.0
//