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MassBank Record: KO004142

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

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

ACCESSION: KO004142
RECORD_TITLE: Tryptamine; 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 T031

CH$NAME: Tryptamine
CH$NAME: 3-(2-Aminoethyl)indole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12N2
CH$EXACT_MASS: 160.10005
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CCN
CH$IUPAC: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
CH$LINK: CAS 61-54-1
CH$LINK: CHEBI 16765
CH$LINK: KEGG C00398
CH$LINK: NIKKAJI J4.816J
CH$LINK: PUBCHEM SID:3688
CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2075340

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$FOCUSED_ION: PRECURSOR_M/Z 161
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0900000000-0572e0c6753816d29646
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  60.900 19802.0 1
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  85.100 29703.0 1
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  98.900 24752.5 1
  99.200 14851.5 1
  102.400 34653.5 1
  104.800 29703.0 1
  110.800 69307.0 1
  115.100 138614.0 1
  115.900 29703.0 1
  117.100 485149.0 2
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  125.700 108911.0 1
  126.700 217822.0 1
  128.900 3405944.0 11
  132.200 237624.0 1
  143.300 633664.0 2
  144.100 301153766.5 999
  161.100 115079323.0 382
//

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