MassBank Record: MSBNK-Keio_Univ-KO003762
ACCESSION: MSBNK-Keio_Univ-KO003762
RECORD_TITLE: Pseudopelletierine; 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 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 154
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-b2201b975dd36cda153d
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
41.300 49505.0 11
43.100 158416.0 35
44.100 69307.0 15
52.800 29703.0 7
55.200 331683.5 73
58.200 128713.0 28
64.900 29703.0 7
65.900 44554.5 10
66.900 173267.5 38
68.100 247525.0 55
70.000 4529707.5 999
77.300 331683.5 73
77.900 480198.5 106
79.200 188119.0 41
80.300 153465.5 34
81.300 306931.0 68
82.200 188119.0 41
91.200 99010.0 22
94.300 173267.5 38
94.900 113861.5 25
96.300 534654.0 118
97.000 54455.5 12
//