MassBank Record: MSBNK-Keio_Univ-KO003580
ACCESSION: MSBNK-Keio_Univ-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
//