MassBank MassBank Search Contents Download

MassBank Record: MSBNK-MSSJ-MSJ00458

Symmetric dimethylarginine; ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V

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

ACCESSION: MSBNK-MSSJ-MSJ00458
RECORD_TITLE: Symmetric dimethylarginine; ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
DATE: 2020.12.21
AUTHORS: Atsushi Yamamoto, Faculty of Environmental Studies, Tottori University of Environmental Studies, 1-1, Wakabadai-kita, Tottori City, Tottori 689-1111, Japan.
LICENSE: CC BY
COPYRIGHT: Atsushi Yamamoto, Faculty of Environmental Studies, Tottori University of Environmental Studies, 1-1, Wakabadai-kita, Tottori City, Tottori 689-1111, Japan.
COMMENT: The sample was injected by direct infusion.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 20HP8016 to the Mass Spectrometry Society of Japan.

CH$NAME: Symmetric dimethylarginine
CH$COMPOUND_CLASS: Non-natural product; L-Arginine derivative
CH$FORMULA: C8H18N4O2
CH$EXACT_MASS: 202.14296
CH$SMILES: CNC(=NC)NCCC[C@@H](C(=O)O)N
CH$IUPAC: InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
CH$LINK: CAS 30344-00-4
CH$LINK: CHEBI 25682
CH$LINK: CHEMSPIDER 147942
CH$LINK: INCHIKEY HVPFXCBJHIIJGS-LURJTMIESA-N
CH$LINK: PUBCHEM CID:169148

AC$INSTRUMENT: X500R QTOF (AB Sciex LLC, USA)
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 201.13568
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0a4i-9200000000-b8fde7d70de01c6e06f5
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  40.0065 1.76678 254
  41.0031 0.13943 20
  43.0187 0.72322 104
  44.998 0.17937 26
  55.0299 6.95248 999
  83.0613 0.31392 45
  89.0243 0.79723 115
  131.0826 2.83018 407
//

system version 2.2.6-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo