MassBank Record: MSBNK-Keio_Univ-KO003761
ACCESSION: MSBNK-Keio_Univ-KO003761
RECORD_TITLE: Pseudopelletierine; 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 P054
CH$NAME: Pseudopelletierine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H15NO
CH$EXACT_MASS: 153.11536
CH$SMILES: O=C(C1)CC(C2)N(C)C(CC2)1
CH$IUPAC: InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
CH$LINK: CAS
552-70-5
CH$LINK: KEGG
C10865
CH$LINK: NIKKAJI
J14.215H
CH$LINK: PUBCHEM
SID:13048
CH$LINK: INCHIKEY
RHWSKVCZXBAWLZ-UHFFFAOYSA-N
AC$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$FOCUSED_ION: PRECURSOR_M/Z 154
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-aa37208665132cd7d2c8
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
41.200 24752.5 2
43.200 118812.0 11
43.900 74257.5 7
45.000 69307.0 7
55.100 455446.0 44
58.300 242574.5 23
67.000 212871.5 20
68.200 475248.0 46
68.800 94059.5 9
70.000 10425753.0 999
77.300 500000.5 48
78.000 683169.0 65
78.900 663367.0 64
81.100 767327.5 74
82.100 351485.5 34
83.300 212871.5 20
84.000 84158.5 8
91.100 331683.5 32
92.800 29703.0 3
94.100 1074258.5 103
95.300 891090.0 85
96.100 4346539.0 416
97.000 594060.0 57
105.100 29703.0 3
108.800 34653.5 3
112.200 1034654.5 99
154.400 519802.5 50
//
system version 2.2.6-SNAPSHOT