MassBank Record: KO001564



 L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001564
RECORD_TITLE: L-(-)-Phenylalanine; 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 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$LINK: PUBCHEM SID:3379
AC$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$FOCUSED_ION: PRECURSOR_M/Z 164 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-3900000000-e1ee31d41e48824e84b7 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 45.100 39604.0 1 59.100 34653.5 1 59.400 9901.0 1 69.900 54455.5 1 72.000 11618823.5 202 91.500 4222776.5 73 92.200 28693098.0 498 95.100 74257.5 1 96.800 84158.5 1 103.200 28207949.0 490 107.700 9901.0 1 118.100 831684.0 14 119.800 3292082.5 57 136.000 89109.0 2 146.100 1306932.0 23 147.000 57554513.0 999 149.100 69307.0 1 164.200 25450520.5 442 //