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MassBank Record: KO001222

Indole-3-acetamide; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO001222
RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0089-0900000000-7ed0e1427315880135e9
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  42.200 668317.5 8
  44.200 79208.0 1
  59.200 44554.5 1
  60.900 14851.5 1
  70.800 9901.0 1
  73.400 34653.5 1
  74.700 34653.5 1
  78.700 123762.5 2
  85.300 19802.0 1
  87.300 49505.0 1
  92.900 99010.0 1
  111.200 89109.0 1
  115.700 64356.5 1
  127.200 64356.5 1
  128.200 4277232.0 52
  130.000 82208003.0 999
  136.900 376238.0 5
  142.800 188119.0 2
  146.400 1183169.5 14
  155.100 64356.5 1
  171.700 19802.0 1
  173.200 70113931.5 852
  216.800 39604.0 1
//

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