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MassBank Record: KO001221

Indole-3-acetamide; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO001221
RECORD_TITLE: Indole-3-acetamide; 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 I030

CH$NAME: Indole-3-acetamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10N2O
CH$EXACT_MASS: 174.07931
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)N
CH$IUPAC: InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
CH$LINK: CAS 879-37-8
CH$LINK: KEGG C02693
CH$LINK: NIKKAJI J128.124K
CH$LINK: PUBCHEM SID:5661
CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60236686

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 173
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00di-0900000000-8e500497980b176c3b93
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  58.900 29703.0 1
  73.000 54455.5 1
  79.000 49505.0 1
  92.600 14851.5 1
  96.900 29703.0 1
  110.600 49505.0 1
  111.100 59406.0 1
  128.200 99010.0 1
  128.500 193069.5 1
  129.900 2099012.0 12
  137.200 673268.0 4
  141.100 24752.5 1
  145.200 29703.0 1
  146.200 69307.0 1
  154.800 49505.0 1
  172.900 59351544.5 330
  173.200 179826912.5 999
  201.300 59406.0 1
  219.100 29703.0 1
  259.300 356436.0 2
//

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