MassBank Record: KO002198



 N-Acetylphenylalanine; 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: KO002198
RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:10 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 A067

CH$NAME: N-Acetylphenylalanine CH$NAME: N-Acetyl-L-phenylalanine CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H13NO3 CH$EXACT_MASS: 207.08954 CH$SMILES: CC(=O)N[C@H](C(O)=O)Cc(c1)cccc1 CH$IUPAC: InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI 16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J CH$LINK: PUBCHEM SID:6328
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 208 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4l-1960000000-20faf15c3d02bbe80ad2 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 50.200 242574.5 23 53.900 19802.0 2 61.200 19802.0 2 68.000 495050.0 46 74.000 331683.5 31 82.200 1049506.0 98 85.900 34653.5 3 86.700 34653.5 3 100.400 34653.5 3 101.000 207921.0 19 101.900 24752.5 2 105.200 19802.0 2 107.200 153465.5 14 108.200 39604.0 4 116.900 153465.5 14 120.100 500000.5 46 129.200 39604.0 4 131.000 168317.0 16 135.100 64356.5 6 135.900 24752.5 2 144.400 34653.5 3 146.900 84158.5 8 148.200 405941.0 38 153.200 34653.5 3 153.900 74257.5 7 162.100 3024755.5 281 166.300 2668319.5 248 172.200 29703.0 3 173.100 351485.5 33 174.200 14851.5 1 176.000 782179.0 73 190.200 1653467.0 154 191.500 4341588.5 403 193.900 14851.5 1 208.100 10752486.0 999 //