MassBank Record: MSBNK-Keio_Univ-KO003578
ACCESSION: MSBNK-Keio_Univ-KO003578
RECORD_TITLE: Myosmine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0900000000-4725f1793141bea01a74
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
68.800 113861.5 2
73.600 44554.5 1
80.000 74257.5 1
82.800 39604.0 1
84.000 79208.0 1
88.200 89109.0 2
91.400 49505.0 1
93.100 39604.0 1
94.100 19802.0 1
102.300 19802.0 1
103.100 19802.0 1
104.100 613862.0 11
105.300 940595.0 16
105.600 59406.0 1
107.000 29703.0 1
117.700 34653.5 1
118.200 267327.0 5
119.400 69307.0 1
120.100 792080.0 14
127.900 29703.0 1
130.000 1188120.0 21
132.000 163366.5 3
145.100 935644.5 16
147.100 57549562.5 999
//