MassBank Record: KO003579

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Myosmine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003579
RECORD_TITLE: Myosmine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0002-0900000000-9dd2edfefbba0e83c9f9
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  41.6 9901.0 1.0
  44.0 59406.0 4.0
  55.4 19802.0 1.0
  67.9 113862.0 7.0
  69.3 44554.5 3.0
  71.9 29703.0 2.0
  77.0 391090.0 24.0
  77.9 727724.0 45.0
  79.9 336634.0 21.0
  84.2 39604.0 2.0
  88.1 54455.5 3.0
  90.9 554456.0 34.0
  91.8 425743.0 26.0
  93.1 163366.0 10.0
  94.3 39604.0 2.0
  95.4 54455.5 3.0
  96.2 49505.0 3.0
  103.2 608912.0 38.0
  104.1 4297030.0 265.0
  105.2 6945550.0 428.0
  106.3 396040.0 24.0
  106.8 113862.0 7.0
  117.3 524753.0 32.0
  118.1 1762380.0 109.0
  118.9 217822.0 13.0
  120.3 2386140.0 147.0
  128.0 153466.0 9.0
  130.0 2643570.0 163.0
  131.3 158416.0 10.0
  131.9 772278.0 48.0
  144.6 148515.0 9.0
  145.3 3143570.0 194.0
  146.5 168317.0 10.0
  147.3 1.61931E7 999.0
//