ACCESSION: MSBNK-Keio_Univ-KO001223
RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-001i-0900000000-fc7d0772d90e4729aef2
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  42.300 2435646.0 77
  43.900 539604.5 17
  59.100 34653.5 1
  72.600 14851.5 1
  78.900 54455.5 2
  85.100 14851.5 1
  86.900 44554.5 1
  93.000 217822.0 7
  94.900 14851.5 1
  111.000 24752.5 1
  116.100 415842.0 13
  127.400 262376.5 8
  128.200 14688133.5 466
  128.600 752476.0 24
  130.000 31460427.5 999
  130.800 84158.5 3
  136.600 24752.5 1
  143.200 366337.0 12
  145.300 59406.0 2
  146.000 445545.0 14
  157.400 89109.0 3
  173.100 1866338.5 59
//