MassBank Record: NGA02768



 Adrenoglomerulotropin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA02768
RECORD_TITLE: Adrenoglomerulotropin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: SubCategory_DNP: : Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids

CH$NAME: Adrenoglomerulotropin CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C13H16N2O CH$EXACT_MASS: 216.28527 CH$SMILES: COc1ccc2[nH]c3c(c2c1)CCN[C@H]3C CH$IUPAC: InChI=1S/C13H16N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3/t8-/m0/s1 CH$LINK: CAS 1210-56-6 CH$LINK: PUBCHEM CID:64188 CH$LINK: INCHIKEY RDUORFDQRFHYBF-QMMMGPOBSA-N
AC$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$SPLASH: splash10-0udi-0790000000-e175406ea606fa213b6c PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 173.5 2.1 2 173.6 3.77 3 173.7 6.17 6 173.8 9.42 9 173.9 13.47 13 174.0 17.46 17 174.1 20.1 20 174.2 20.77 20 174.3 19.47 19 174.4 16.02 16 174.5 10.5 10 174.6 4.52 4 174.7 0.62 0 187.4 1.44 1 187.5 3.32 3 187.6 6.54 6 187.7 11.61 11 187.8 19.04 19 187.9 28.55 28 188.0 38.06 38 188.1 44.26 44 188.2 45.18 45 188.3 41.13 41 188.4 33.06 33 188.5 21.89 21 188.6 10.13 10 188.7 1.71 1 199.3 1.41 1 199.4 3.84 3 199.5 8.16 8 199.6 15.56 15 199.7 28.02 27 199.8 46.37 46 199.9 68.03 67 200.0 87.25 87 200.1 98.62 98 200.2 100.0 99 200.3 91.4 91 200.4 72.73 72 200.5 46.13 46 200.6 19.29 19 200.7 1.78 1 216.5 1.82 1 216.6 3.66 3 216.7 6.57 6 216.8 11.21 11 216.9 17.58 17 217.0 24.12 24 217.1 28.43 28 217.2 29.33 29 217.3 27.16 27 217.4 22.31 22 217.5 15.04 15 217.6 7.05 7 217.7 1.18 1 //