MassBank Record: KO001565



 L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001565
RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 164 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0f6x-9500000000-cc11290a37615f24e16e PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 42.000 148515.0 7 45.100 108911.0 5 64.800 59406.0 3 70.000 29703.0 1 71.900 5816837.5 266 77.100 475248.0 22 91.200 1059407.0 48 92.300 21881210.0 999 95.000 49505.0 2 103.000 14965361.5 683 115.700 29703.0 1 118.100 500000.5 23 118.400 153465.5 7 120.100 44554.5 2 146.500 262376.5 12 147.200 3069310.0 140 148.800 24752.5 1 163.900 222772.5 10 //