MassBank MassBank Search Contents Download

MassBank Record: KO003796

Phenylethylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003796
RECORD_TITLE: Phenylethylamine; 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 P062

CH$NAME: Phenylethylamine(2)
CH$NAME: beta-Phenylethylamine
CH$NAME: Phenethylamine
CH$NAME: 2-Phenylethylamine
CH$NAME: Phenylethylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11N
CH$EXACT_MASS: 121.08915
CH$SMILES: NCCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
CH$LINK: CAS 64-04-0
CH$LINK: CHEBI 18397
CH$LINK: KEGG C05332
CH$LINK: NIKKAJI J4.833J
CH$LINK: PUBCHEM SID:7711
CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5058773

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$FOCUSED_ION: PRECURSOR_M/Z 122
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9100000000-0e8ece94eaa349e6fd21
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27.000 74257.5 1
  37.300 24752.5 1
  38.800 19802.0 1
  51.000 4282182.5 35
  53.100 188119.0 2
  62.800 14851.5 1
  65.100 435644.0 4
  66.000 113861.5 1
  67.100 49505.0 1
  69.400 24752.5 1
  74.800 54455.5 1
  77.000 123891213.0 999
  78.000 386139.0 3
  79.100 38351523.5 309
  82.800 14851.5 1
  84.900 49505.0 1
  87.700 9901.0 1
  90.300 39604.0 1
  93.000 14851.5 1
  93.600 44554.5 1
  95.000 4836638.5 39
  96.900 64356.5 1
  98.900 24752.5 1
  101.200 59406.0 1
  102.100 673268.0 5
  102.900 24044578.5 194
  104.300 316832.0 3
  105.100 10212881.5 82
  105.600 183168.5 1
  111.600 19802.0 1
  113.300 29703.0 1
  141.900 14851.5 1
  531.000 34653.5 1
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze