MassBank Record: KO002526

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L-Carnosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002526
RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:50 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 C012

CH$NAME: Carnosine
CH$NAME: Nalpha-(beta-alanyl)-L-histidine
CH$NAME: L-Carnosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H14N4O3
CH$EXACT_MASS: 226.10659
CH$SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN
CH$IUPAC: InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
CH$LINK: CAS 305-84-0
CH$LINK: CHEBI 15727
CH$LINK: COMPTOX DTXSID80879594
CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N
CH$LINK: KEGG C00386
CH$LINK: NIKKAJI J5.496H
CH$LINK: PUBCHEM SID:3676

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 227
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03e9-9600000000-3391a9f020ebc669c1fa
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  30.2 49505.0 7.0
  55.3 247525.0 33.0
  55.9 173268.0 23.0
  65.7 34653.5 5.0
  66.9 44554.5 6.0
  68.0 688120.0 91.0
  68.9 84158.5 11.0
  71.7 14851.5 2.0
  77.3 19802.0 3.0
  81.1 495050.0 66.0
  82.3 772278.0 102.0
  83.1 5123770.0 679.0
  91.7 108911.0 14.0
  93.2 2549510.0 338.0
  95.1 1896040.0 251.0
  105.3 29703.0 4.0
  107.5 19802.0 3.0
  109.4 69307.0 9.0
  110.2 7534660.0 999.0
  115.3 39604.0 5.0
  116.3 188119.0 25.0
  117.5 49505.0 7.0
  118.1 297030.0 39.0
  122.1 188119.0 25.0
  146.3 44554.5 6.0
//