MassBank Record: KO001224

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Indole-3-acetamide; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO001224
RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQ; MS2; CE:40 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: 174.079309999999992442099028266966342926025390625
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: COMPTOX DTXSID60236686
CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N
CH$LINK: KEGG C02693
CH$LINK: NIKKAJI J128.124K
CH$LINK: PUBCHEM SID:5661

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 40 V

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

PK$SPLASH: splash10-0059-3900000000-f1a9ae54e7b833bbf726
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  42.100 1920794.0 465
  44.100 356436.0 86
  58.800 19802.0 5
  92.600 153465.5 37
  115.900 257426.0 62
  128.200 4123766.5 999
  130.200 2599012.5 630
  131.000 69307.0 17
  143.100 99010.0 24
  156.800 19802.0 5
//