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
//