MassBank Record: MT000058



 Glycyl-phenylalanine; LC-ESI-IT; MS2; m/z: 221.2; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000058
RECORD_TITLE: Glycyl-phenylalanine; LC-ESI-IT; MS2; m/z: 221.2; [M-H]-
DATE: 2016.01.19 (2009.08.07, 2012.10.30)
AUTHORS: Evans A MMetabolon Inc., Mitchell MMetabolon Inc., DeHaven C DMetabolon Inc., Barrett TMetabolon Inc., Milgram EMetabolon Inc., Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Glycyl-phenylalanine CH$COMPOUND_CLASS: Natural Product; Peptide CH$FORMULA: C11H14N2O3 CH$EXACT_MASS: 222.10044 CH$SMILES: NCC(=O)NC([H])(C(O)=O)Cc(c1)cccc1 CH$IUPAC: InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1 CH$LINK: CAS 3321-03-7 CH$LINK: INCHIKEY JBCLFWXMTIKCCB-VIFPVBQESA-N
AC$INSTRUMENT: LTQ XL, Thermo Finnigan AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 221.2 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-03dj-0900000000-e6e84fcddd12f391dd1f PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 73.0 18.8 188 103.1 1.6 16 147.1 75.2 751 148.1 0.4 4 164.1 100.0 999 177.1 18.3 183 203.1 0.5 5 //