ACCESSION: MSBNK-Keio_Univ-KO003577
RECORD_TITLE: Myosmine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0002-0900000000-ac2c20ee1446074617d2
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  50.100 49505.0 1
  69.000 123762.5 1
  75.500 14851.5 1
  77.900 19802.0 1
  83.300 475248.0 5
  89.200 49505.0 1
  98.100 14851.5 1
  100.800 14851.5 1
  105.000 84158.5 1
  107.100 14851.5 1
  110.800 49505.0 1
  112.400 74257.5 1
  115.300 237624.0 2
  129.000 103960.5 1
  129.900 990100.0 10
  132.200 29703.0 1
  145.000 84158.5 1
  147.100 95450590.5 999
//