MassBank Record: KO003793

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Phenylethylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003793
RECORD_TITLE: Phenylethylamine; 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 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$LINK: COMPTOX DTXSID5058773
CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N
CH$LINK: KEGG C05332
CH$LINK: NIKKAJI J4.833J
CH$LINK: PUBCHEM SID:7711

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

PK$SPLASH: splash10-0ab9-0900000000-e3d2be06e661bac2f739
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  36.0 534654.0 1.0
  43.6 19802.0 1.0
  50.1 6638620.0 13.0
  54.0 173268.0 1.0
  61.1 39604.0 1.0
  62.1 34653.5 1.0
  63.3 44554.5 1.0
  68.2 440594.0 1.0
  69.1 326733.0 1.0
  72.9 69307.0 1.0
  75.8 113862.0 1.0
  76.8 84158.5 1.0
  77.1 69307.0 1.0
  79.2 301980.0 1.0
  87.0 450496.0 1.0
  88.9 89109.0 1.0
  90.3 292080.0 1.0
  102.8 1029700.0 2.0
  104.4 3717830.0 8.0
  105.1 4.93312E8 999.0
  105.6 8158420.0 17.0
  106.9 39604.0 1.0
  122.2 3.65905984E8 741.0
  130.5 54455.5 1.0
  138.7 14851.5 1.0
  140.1 123762.0 1.0
  141.6 14851.5 1.0
  169.3 49505.0 1.0
  171.3 99010.0 1.0
  201.2 24752.5 1.0
  211.1 9901.0 1.0
//