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MassBank Record: KO003578

Myosmine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003578
RECORD_TITLE: Myosmine; LC-ESI-QQ; MS2; CE:20 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: 146.08440
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: KEGG C10160
CH$LINK: NIKKAJI J11.722F
CH$LINK: PUBCHEM SID:12346
CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70891866

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 20 V

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

PK$SPLASH: splash10-0002-0900000000-4725f1793141bea01a74
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  68.800 113861.5 2
  73.600 44554.5 1
  80.000 74257.5 1
  82.800 39604.0 1
  84.000 79208.0 1
  88.200 89109.0 2
  91.400 49505.0 1
  93.100 39604.0 1
  94.100 19802.0 1
  102.300 19802.0 1
  103.100 19802.0 1
  104.100 613862.0 11
  105.300 940595.0 16
  105.600 59406.0 1
  107.000 29703.0 1
  117.700 34653.5 1
  118.200 267327.0 5
  119.400 69307.0 1
  120.100 792080.0 14
  127.900 29703.0 1
  130.000 1188120.0 21
  132.000 163366.5 3
  145.100 935644.5 16
  147.100 57549562.5 999
//

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