ACCESSION: MSBNK-Keio_Univ-KO004149
RECORD_TITLE: Tyrosine methyl ester; 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 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 30 V

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

PK$SPLASH: splash10-000l-3900000000-82191db57d9cce7ca493
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  58.900 89109.0 28
  69.300 29703.0 9
  73.300 49505.0 16
  79.300 34653.5 11
  80.700 59406.0 19
  82.800 79208.0 25
  91.000 3074260.5 968
  93.000 44554.5 14
  95.900 19802.0 6
  99.800 64356.5 20
  103.300 59406.0 19
  107.300 173267.5 55
  113.700 49505.0 16
  118.500 153465.5 48
  119.100 2579210.5 812
  121.000 74257.5 23
  122.200 54455.5 17
  123.000 29703.0 9
  132.900 84158.5 26
  136.100 3173270.5 999
  137.300 2173269.5 684
  146.900 84158.5 26
  151.200 69307.0 22
  160.500 29703.0 9
  196.400 39604.0 12
//