ACCESSION: MSBNK-Keio_Univ-KO001863
RECORD_TITLE: L-Tyrosine; 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 T002

CH$NAME: Tyr
CH$NAME: (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid
CH$NAME: L-Tyrosine
CH$NAME: (S)-3-(p-Hydroxyphenyl)alanine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁NO₃
CH$EXACT_MASS: 181.07389
CH$SMILES: OC(=O)C(N)Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
CH$LINK: CAS 60-18-4
CH$LINK: CHEBI 17895
CH$LINK: CHEMPDB TYR
CH$LINK: KEGG C00082
CH$LINK: NIKKAJI J9.173A
CH$LINK: PUBCHEM SID:3382
CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID1023730

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 180
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-03yi-1900000000-644614c00b6e9f6aef94
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  58.800 54455.5 17
  72.200 415842.0 133
  74.200 148515.0 48
  92.800 787129.5 252
  96.700 29703.0 10
  103.900 19802.0 6
  106.000 148515.0 48
  107.000 133663.5 43
  110.100 19802.0 6
  116.100 34653.5 11
  119.300 2103962.5 674
  120.200 64356.5 21
  134.000 79208.0 25
  136.100 643565.0 206
  147.800 277228.0 89
  162.300 89109.0 29
  163.100 3118815.0 999
  178.600 19802.0 6
  180.400 2995052.5 959
//