MassBank Record: KO001563



 L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001563
RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P002

CH$NAME: Phe CH$NAME: (S)-alpha-Amino-beta-phenylpropionic acid CH$NAME: L-Phenylalanine CH$NAME: L-(-)-Phenylalanine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H11NO2 CH$EXACT_MASS: 165.07898 CH$SMILES: OC(=O)C([H])(N)Cc(c1)cccc1 CH$IUPAC: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 CH$LINK: CAS 63-91-2 CH$LINK: CHEBI 17295 CH$LINK: CHEMPDB PHE CH$LINK: KEGG C00079 CH$LINK: NIKKAJI J9.175H CH$LINK: PUBCHEM SID:3379 CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 164 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0900000000-80558c17dc1845663c85 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 58.600 29703.0 1 72.000 717822.5 3 78.700 14851.5 1 90.900 113861.5 1 91.900 3702974.0 14 95.200 94059.5 1 96.900 44554.5 1 103.000 425743.0 2 118.100 29703.0 1 120.000 9143573.5 35 136.400 49505.0 1 145.900 2485151.0 9 147.000 11504962.0 44 163.000 24752.5 1 164.200 263970561.0 999 165.400 138614.0 1 //