MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Keio_Univ-KO003445

1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: MSBNK-Keio_Univ-KO003445
RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:40 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 M063

CH$NAME: 1-Methylnicotinamide
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C7H9N2O+
CH$EXACT_MASS: 137.07149
CH$SMILES: NC(=O)c(c1)c[n+1](C)cc1
CH$IUPAC: InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
CH$LINK: CAS 3106-60-3
CH$LINK: CHEBI 16797
CH$LINK: KEGG C02918
CH$LINK: NIKKAJI J66.624F
CH$LINK: PUBCHEM SID:5841
CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O
CH$LINK: COMPTOX DTXSID10185019

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-002f-9000000000-a17b3a63979577f6fa9e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  39.100 84158.5 4
  41.100 539604.5 26
  42.200 460396.5 22
  44.000 252475.5 12
  45.100 24752.5 1
  51.200 603961.0 29
  52.100 297030.0 14
  53.100 2861389.0 135
  54.200 49505.0 2
  56.300 24752.5 1
  65.100 7346542.0 348
  66.100 1584160.0 75
  66.900 4693074.0 222
  68.100 574258.0 27
  68.900 14851.5 1
  76.600 89109.0 4
  77.100 1351486.5 64
  78.000 19970317.0 945
  79.100 9440603.5 447
  80.200 2940597.0 139
  82.100 113861.5 5
  84.000 19802.0 1
  84.800 19802.0 1
  90.100 54455.5 3
  91.200 84158.5 4
  92.100 13787142.5 653
  93.200 7272284.5 344
  94.100 21103981.5 999
  94.900 103960.5 5
  96.100 1806932.5 86
  103.200 79208.0 4
  103.400 19802.0 1
  106.300 247525.0 12
  108.000 272277.5 13
  109.100 99010.0 5
  110.300 1282179.5 61
  112.300 29703.0 1
  118.200 49505.0 2
  118.900 425743.0 20
  120.800 39604.0 2
  134.900 49505.0 2
  137.200 1059407.0 50
//

Imprint Feedback
system version 2.2.7

Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium

Responsible: Hannes Bohring

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo