MassBank Record: MSBNK-Keio_Univ-KO003581
ACCESSION: MSBNK-Keio_Univ-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: 146.08440
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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$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
//