MassBank Record: KO000134



 N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000134
RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 206 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-2920000000-7447f1e30d868cae5af6 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 42.000 74257.5 1 58.200 12133675.5 59 58.700 19802.0 1 68.400 19802.0 1 70.100 13658429.5 66 72.200 737624.5 4 84.600 54455.5 1 91.000 45475293.0 220 102.000 39604.0 1 103.000 6930700.0 34 114.800 64356.5 1 118.100 113861.5 1 119.000 34653.5 1 120.000 39604.0 1 133.900 178218.0 1 134.300 69307.0 1 145.000 178218.0 1 146.300 217822.0 1 147.000 48381236.5 234 160.000 128713.0 1 162.200 3138617.0 15 164.200 206262582.5 999 182.200 24752.5 1 188.000 103960.5 1 206.400 68604029.0 332 //