MassBank Record: KO000137



 N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000137
RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:50 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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 206 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4l-9100000000-f015dd2066ebbefec15a PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 41.200 336634.0 36 42.200 4455450.0 474 44.800 34653.5 4 57.300 99010.0 11 58.200 9381197.5 999 70.100 148515.0 16 72.000 1316833.0 140 77.100 490099.5 52 84.000 59406.0 6 91.000 1064357.5 113 100.800 54455.5 6 103.100 1569308.5 167 106.800 29703.0 3 116.000 163366.5 17 117.900 306931.0 33 119.000 14851.5 2 133.900 49505.0 5 147.300 168317.0 18 189.900 39604.0 4 //