MassBank Record: KO000136



 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: KO000136
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 206 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0pbc-9400000000-5ac323188cccce720870 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 41.100 207921.0 10 42.000 3386142.0 163 43.200 84158.5 4 44.800 54455.5 3 57.300 138614.0 7 58.200 20698040.5 999 70.200 841585.0 41 72.000 3391092.5 164 73.200 19802.0 1 77.300 618812.5 30 83.900 123762.5 6 91.300 8069315.0 389 101.400 29703.0 1 103.000 11668328.5 563 114.100 19802.0 1 115.800 84158.5 4 117.000 24752.5 1 117.900 366337.0 18 118.500 128713.0 6 119.100 29703.0 1 128.000 24752.5 1 132.900 84158.5 4 134.000 54455.5 3 144.200 29703.0 1 147.200 4990104.0 241 160.200 29703.0 1 164.300 757426.5 37 190.300 158416.0 8 206.200 153465.5 7 //