MassBank Record: KO002201



 N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002201
RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 208 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-2900000000-2e77f5a51bec17ed674e PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 40.900 29703.0 7 43.100 138614.0 35 44.700 34653.5 9 56.900 103960.5 26 59.100 94059.5 24 67.300 14851.5 4 73.700 138614.0 35 79.200 138614.0 35 84.200 193069.5 49 85.300 59406.0 15 91.100 89109.0 22 93.200 202970.5 51 95.000 79208.0 20 98.900 69307.0 17 103.100 1529704.5 386 104.900 34653.5 9 107.200 64356.5 16 117.300 19802.0 5 120.100 3960400.0 999 130.600 34653.5 9 148.600 39604.0 10 //