ACCESSION: MSBNK-Keio_Univ-KO003758
RECORD_TITLE: Pseudopelletierine; LC-ESI-QQ; MS2; CE:10 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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 154
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0900000000-081405db3f4c82c93644
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  36.100 49505.0 1
  50.100 2123764.5 24
  62.600 44554.5 1
  68.100 500000.5 6
  72.900 44554.5 1
  76.000 59406.0 1
  77.400 54455.5 1
  82.000 514852.0 6
  90.300 29703.0 1
  90.900 59406.0 1
  94.100 381188.5 4
  95.100 252475.5 3
  96.000 163366.5 2
  97.400 29703.0 1
  100.100 44554.5 1
  104.800 89109.0 1
  107.400 272277.5 3
  109.000 103960.5 1
  112.600 143564.5 2
  117.800 29703.0 1
  119.200 1569308.5 18
  121.200 24752.5 1
  122.100 316832.0 4
  124.100 19802.0 1
  128.700 14851.5 1
  136.000 896040.5 10
  137.000 10287139.0 116
  154.200 88267415.0 999
//