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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)

ACCESSION: MT000058
RECORD_TITLE: Glycyl-phenylalanine; LC-ESI-IT; MS2; m/z: 221.2; [M-H]-
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, 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
//

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