MassBank MassBank Search Contents Download

MassBank Record: KO003987

Sarcosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003987
RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:10 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 S014

CH$NAME: Sarcosine
CH$NAME: N-Methylglycine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7NO2
CH$EXACT_MASS: 89.04768
CH$SMILES: CNCC(O)=O
CH$IUPAC: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
CH$LINK: CAS 107-97-1
CH$LINK: CHEBI 15611
CH$LINK: KEGG C00213
CH$LINK: NIKKAJI J5.067I
CH$LINK: PUBCHEM SID:3513
CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1047025

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 90
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9000000000-0b3e92ad374e013024ea
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  13.400 44554.5 1
  36.000 4613866.0 153
  44.100 1450496.5 48
  47.900 44554.5 1
  49.500 69307.0 2
  53.900 79208.0 3
  60.600 24752.5 1
  72.300 79208.0 3
  73.100 64356.5 2
  84.700 49505.0 2
  90.000 30198050.0 999
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze