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MassBank Record: KO003580

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

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

ACCESSION: KO003580
RECORD_TITLE: Myosmine; 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 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 40 V

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

PK$SPLASH: splash10-0kdi-5900000000-58882d9a3115db332b10
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  41.100 59406.0 11
  43.900 193069.5 35
  51.100 138614.0 25
  64.900 143564.5 26
  67.300 24752.5 4
  68.900 34653.5 6
  76.600 153465.5 28
  77.100 2425745.0 437
  78.000 4891094.0 882
  79.100 262376.5 47
  80.200 386139.0 70
  91.200 935644.5 169
  92.100 564357.0 102
  93.000 158416.0 29
  94.100 44554.5 8
  95.000 158416.0 29
  96.000 188119.0 34
  102.000 103960.5 19
  103.200 663367.0 120
  104.000 3935647.5 710
  105.000 5539609.5 999
  105.600 262376.5 47
  110.100 24752.5 4
  116.900 1029704.0 186
  118.100 1118813.0 202
  119.700 247525.0 45
  120.300 663367.0 120
  127.800 118812.0 21
  130.200 930694.0 168
  131.000 292079.5 53
  132.000 316832.0 57
  145.200 1103961.5 199
  147.100 1217823.0 220
//

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