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MassBank Record: KO002094

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

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

ACCESSION: KO002094
RECORD_TITLE: 4-Aminoindole; 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 A035

CH$NAME: 4-Aminoindole
CH$NAME: 4-Indolamine
CH$NAME: 4-Iodoanthranilic acid
CH$NAME: 1H-Indol-4-ylamine
CH$NAME: 1H-indol-4-amine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8N2
CH$EXACT_MASS: 132.06875
CH$SMILES: C1=CC2=C(C=CN2)C(=C1)N
CH$IUPAC: InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2
CH$LINK: CAS 5192-23-4
CH$LINK: NIKKAJI J80.973J
CH$LINK: PUBCHEM SID:10405816
CH$LINK: INCHIKEY LUNUNJFSHKSXGQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50342629

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$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-0900000000-174d1e881d4cfe0695aa
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  35.000 74257.5 1
  40.800 9901.0 1
  44.900 49505.0 1
  58.900 34653.5 1
  59.300 29703.0 1
  67.200 44554.5 1
  68.900 39604.0 1
  69.900 89109.0 2
  73.000 217822.0 4
  73.800 128713.0 2
  75.900 24752.5 1
  78.600 39604.0 1
  78.900 193069.5 3
  86.800 39604.0 1
  88.100 311881.5 5
  88.900 163366.5 3
  92.100 89109.0 2
  93.200 1019803.0 17
  97.800 29703.0 1
  98.100 39604.0 1
  98.700 19802.0 1
  104.100 29703.0 1
  106.000 11450506.5 193
  110.300 29703.0 1
  116.200 12445557.0 210
  117.200 3113864.5 52
  130.800 34653.5 1
  131.900 3965350.5 67
  133.100 59306990.0 999
  134.000 1826734.5 31
  144.100 79208.0 1
  467.900 19802.0 1
//

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