ACCESSION: MSBNK-Keio_Univ-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: 146.08440
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 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.
  41.600 9901.0 1
  44.000 59406.0 4
  55.400 19802.0 1
  67.900 113861.5 7
  69.300 44554.5 3
  71.900 29703.0 2
  77.000 391089.5 24
  77.900 727723.5 45
  79.900 336634.0 21
  84.200 39604.0 2
  88.100 54455.5 3
  90.900 554456.0 34
  91.800 425743.0 26
  93.100 163366.5 10
  94.300 39604.0 2
  95.400 54455.5 3
  96.200 49505.0 3
  103.200 608911.5 38
  104.100 4297034.0 265
  105.200 6945551.5 428
  106.300 396040.0 24
  106.800 113861.5 7
  117.300 524753.0 32
  118.100 1762378.0 109
  118.900 217822.0 13
  120.300 2386141.0 147
  128.000 153465.5 9
  130.000 2643567.0 163
  131.300 158416.0 10
  131.900 772278.0 48
  144.600 148515.0 9
  145.300 3143567.5 194
  146.500 168317.0 10
  147.300 16193085.5 999
//