MassBank Record: MSBNK-Keio_Univ-KO004068
ACCESSION: MSBNK-Keio_Univ-KO004068
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$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 182
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00ri-0900000000-b536ea8de6f7d020ec0e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
49.900 29703.0 9
59.300 54455.5 17
68.800 24752.5 8
77.800 69307.0 21
82.900 9901.0 3
89.200 94059.5 29
90.900 237624.0 72
94.900 59406.0 18
100.900 34653.5 11
102.900 163366.5 50
104.900 113861.5 35
106.900 54455.5 17
119.200 960397.0 293
121.000 405941.0 124
121.400 183168.5 56
123.300 1391090.5 424
133.200 29703.0 9
136.100 3277231.0 999
147.000 688119.5 210
150.300 69307.0 21
164.000 74257.5 23
165.200 1272278.5 388
182.100 336634.0 103
//