MassBank Record: MSBNK-Keio_Univ-KO001225

Indole-3-acetamide; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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ACCESSION: MSBNK-Keio_Univ-KO001225
RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQ; MS2; CE:50 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

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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

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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 50 V

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

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PK$SPLASH: splash10-0006-9500000000-1c040087111497793e63
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  41.900 1301981.5 999
  44.000 123762.5 95
  93.000 64356.5 49
  116.000 198020.0 152
  128.100 430693.5 330
  130.100 138614.0 106
  141.300 89109.0 68
//