MassBank Record: MSBNK-RIKEN_NPDepo-NGA03107
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03107
RECORD_TITLE: 3-Dimethylaminoacetyl-5-methoxyindole; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from tryptophan, Simple tryptamine alkaloids, Indole alkaloids
CH$NAME: 3-Dimethylaminoacetyl-5-methoxyindole
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C13H16N2O2
CH$EXACT_MASS: 232.2847
CH$SMILES: COc1ccc2[nH]cc(C(=O)CN(C)C)c2c1
CH$IUPAC: InChI=1S/C13H16N2O2/c1-15(2)8-13(16)11-7-14-12-5-4-9(17-3)6-10(11)12/h4-7,14H,8H2,1-3H3
CH$LINK: CAS
16620-52-3
CH$LINK: CHEMSPIDER
19957786
CH$LINK: INCHIKEY
LPMKRELFHFSDTK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10962766
CH$LINK: PUBCHEM
CID:179552
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-b2d485ffbfeca668c5fc
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
57.3 1.24 1
57.4 3.81 3
57.5 9.53 9
57.6 19.86 19
57.7 35.43 35
57.8 55.19 55
57.9 75.8 75
58.0 92.15 92
58.1 100.0 99
58.2 97.62 97
58.3 84.55 84
58.4 61.49 61
58.5 33.55 33
58.6 10.22 10
58.7 0.0 0
159.8 2.84 2
159.9 4.02 4
160.0 5.12 5
160.1 5.8 5
160.2 5.82 5
160.3 5.12 5
160.4 3.73 3
160.5 2.0 1
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