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: 146.084399999999988040144671685993671417236328125
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.
  38.800 9901.0 2
  41.000 34653.5 7
  44.200 143564.5 30
  51.100 445545.0 95
  65.100 227723.0 48
  67.300 24752.5 5
  68.200 89109.0 19
  76.900 2153467.5 457
  78.200 4707925.5 999
  79.200 346535.0 74
  80.200 242574.5 51
  90.100 108911.0 23
  91.000 628713.5 133
  92.200 168317.0 36
  95.100 123762.5 26
  95.800 44554.5 9
  101.600 49505.0 11
  101.900 89109.0 19
  103.200 113861.5 24
  104.000 792080.0 168
  105.100 1297031.0 275
  117.100 608911.5 129
  118.300 277228.0 59
  119.500 24752.5 5
  127.600 19802.0 4
  129.900 49505.0 11
  130.900 158416.0 34
  145.100 123762.5 26
//