MassBank Record: KO003581

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

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

ACCESSION: KO003581
RECORD_TITLE: Myosmine; 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 M172

CH$NAME: Myosmine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10N2
CH$EXACT_MASS: 146.0844
CH$SMILES: c(c2)ncc(c2)C(C1)=NCC1
CH$IUPAC: InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
CH$LINK: CAS 532-12-7
CH$LINK: COMPTOX DTXSID70891866
CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N
CH$LINK: KEGG C10160
CH$LINK: NIKKAJI J11.722F
CH$LINK: PUBCHEM SID:12346

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$FOCUSED_ION: PRECURSOR_M/Z 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9300000000-e1a8385fecfc718d8560
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  38.8 9901.0 2.0
  41.0 34653.5 7.0
  44.2 143564.0 30.0
  51.1 445545.0 95.0
  65.1 227723.0 48.0
  67.3 24752.5 5.0
  68.2 89109.0 19.0
  76.9 2153470.0 457.0
  78.2 4707930.0 999.0
  79.2 346535.0 74.0
  80.2 242574.0 51.0
  90.1 108911.0 23.0
  91.0 628714.0 133.0
  92.2 168317.0 36.0
  95.1 123762.0 26.0
  95.8 44554.5 9.0
  101.6 49505.0 11.0
  101.9 89109.0 19.0
  103.2 113862.0 24.0
  104.0 792080.0 168.0
  105.1 1297030.0 275.0
  117.1 608912.0 129.0
  118.3 277228.0 59.0
  119.5 24752.5 5.0
  127.6 19802.0 4.0
  129.9 49505.0 11.0
  130.9 158416.0 34.0
  145.1 123762.0 26.0
//