ACCESSION: MSBNK-Keio_Univ-KO002098
RECORD_TITLE: 5-Aminoindole; 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 A036

CH$NAME: 5-Aminoindole
CH$NAME: 1H-indol-5-amine
CH$NAME: Indol-5-ylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈N₂
CH$EXACT_MASS: 132.06875
CH$SMILES: C1=CC2=C(C=CN2)C=C1N
CH$IUPAC: InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2
CH$LINK: CAS 5192-03-0
CH$LINK: CHEBI 33067
CH$LINK: NIKKAJI J80.971C
CH$LINK: PUBCHEM SID:8147228
CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5063734

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

PK$SPLASH: splash10-0159-3900000000-a361a32eae777e21f647
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  35.200 836634.5 157
  36.100 74257.5 14
  50.300 14851.5 3
  55.000 44554.5 8
  58.900 9901.0 2
  68.900 64356.5 12
  73.000 559406.5 105
  73.800 227723.0 43
  75.000 19802.0 4
  78.800 14851.5 3
  83.200 965347.5 182
  83.800 39604.0 7
  87.800 173267.5 33
  88.300 64356.5 12
  92.000 59406.0 11
  96.700 49505.0 9
  97.700 44554.5 8
  98.700 34653.5 7
  101.100 297030.0 56
  115.200 108911.0 20
  116.100 5311886.5 999
  118.700 19802.0 4
  133.100 2762379.0 520
//