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MassBank Record: KO003759

Pseudopelletierine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003759
RECORD_TITLE: Pseudopelletierine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0udi-1900000000-0814978872e9902f581f
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  35.800 19802.0 1
  44.800 54455.5 1
  50.100 158416.0 3
  58.300 24752.5 1
  62.800 34653.5 1
  69.800 242574.5 5
  71.100 49505.0 1
  72.700 158416.0 3
  74.300 79208.0 2
  74.900 44554.5 1
  76.800 14851.5 1
  78.600 19802.0 1
  81.100 99010.0 2
  89.900 19802.0 1
  91.100 316832.0 7
  92.600 24752.5 1
  94.100 702971.0 15
  95.000 2128715.0 44
  96.000 5158421.0 107
  96.700 94059.5 2
  98.300 143564.5 3
  102.700 49505.0 1
  105.300 74257.5 2
  109.200 128713.0 3
  112.400 1569308.5 33
  119.200 628713.5 13
  122.300 24752.5 1
  136.000 410891.5 9
  137.300 3331686.5 69
  154.200 48034701.5 999
//

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