MassBank Record: KO000135



 N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000135
RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 206 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0lxy-8900000000-3b53da8f8106adfdd677 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 41.000 34653.5 1 42.200 1084159.5 28 43.200 178218.0 5 58.200 28341612.5 719 70.000 5163371.5 131 72.100 4920797.0 125 77.300 193069.5 5 84.000 158416.0 4 90.300 49505.0 1 91.100 39381227.5 999 92.600 19802.0 1 101.500 49505.0 1 103.000 22628735.5 574 106.600 9901.0 1 115.200 163366.5 4 117.900 227723.0 6 118.500 123762.5 3 119.100 29703.0 1 129.900 19802.0 1 132.800 49505.0 1 133.800 183168.5 5 134.300 99010.0 3 144.800 153465.5 4 146.200 178218.0 5 147.200 34757460.5 882 150.300 64356.5 2 160.000 183168.5 5 162.300 79208.0 2 164.200 29920822.0 759 188.400 74257.5 2 190.100 168317.0 4 206.400 3945548.5 100 //