MassBank Record: KO003666



 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: KO003666
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 166 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0900000000-9b908abfcb63153d60b3 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 59.000 99010.0 1 73.100 8663375.0 68 76.300 59406.0 1 79.000 24752.5 1 82.800 19802.0 1 87.400 69307.0 1 89.000 64356.5 1 91.100 168317.0 1 93.000 39604.0 1 93.400 49505.0 1 103.200 311881.5 2 104.200 39604.0 1 105.100 2668319.5 21 105.900 2920795.0 23 107.000 792080.0 6 108.200 188119.0 1 116.100 29703.0 1 117.000 836634.5 7 120.200 56554512.0 443 120.900 79208.0 1 122.200 44554.5 1 124.700 24752.5 1 131.200 4222776.5 33 134.000 39604.0 1 148.200 485149.0 4 149.300 44104004.5 346 166.300 127406068.0 999 184.100 49505.0 1 //