MassBank Record: MSBNK-Keio_Univ-KO001224
ACCESSION: MSBNK-Keio_Univ-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: 174.07931
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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$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
//