MassBank Record: MSBNK-Keio_Univ-KO001221
ACCESSION: MSBNK-Keio_Univ-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
//