ACCESSION: MSBNK-Keio_Univ-KO004148
RECORD_TITLE: Tyrosine methyl ester; 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 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 20 V

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

PK$SPLASH: splash10-000i-0900000000-1813e1980c4adaa3743c
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  44.600 14851.5 2
  58.800 39604.0 5
  72.900 64356.5 8
  77.800 29703.0 4
  80.800 9901.0 1
  83.100 29703.0 4
  88.900 24752.5 3
  90.900 207921.0 27
  95.200 19802.0 3
  99.800 242574.5 32
  100.500 49505.0 6
  103.000 84158.5 11
  104.900 113861.5 15
  107.100 39604.0 5
  113.800 49505.0 6
  119.100 1267328.0 165
  120.000 54455.5 7
  120.800 64356.5 8
  123.100 64356.5 8
  132.900 54455.5 7
  136.000 7668324.5 999
  137.300 3029706.0 395
  147.000 905941.5 118
  161.300 346535.0 45
  179.200 2044556.5 266
  196.400 282178.5 37
//