ACCESSION: MSBNK-Keio_Univ-KO004150
RECORD_TITLE: Tyrosine methyl ester; 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 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 40 V

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

PK$SPLASH: splash10-0006-9400000000-1f4df2eaa874cb168473
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  59.000 79208.0 14
  65.000 29703.0 5
  72.900 39604.0 7
  76.800 69307.0 12
  79.100 79208.0 14
  80.900 143564.5 25
  83.000 59406.0 10
  91.000 5782184.0 999
  92.900 59406.0 10
  94.300 113861.5 20
  105.400 54455.5 9
  106.900 589109.5 102
  109.200 118812.0 21
  116.900 44554.5 8
  118.000 74257.5 13
  119.300 801981.0 139
  121.000 272277.5 47
  122.300 108911.0 19
  136.000 361386.5 62
  137.300 519802.5 90
  153.400 14851.5 3
//