MassBank Record: NGA02765



 Adrenoglomerulotropin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
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ACCESSION: NGA02765
RECORD_TITLE: Adrenoglomerulotropin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-00dr-0900000000-553f8ecb5bbe785c06c7 PK$NUM_PEAK: 250 PK$PEAK: m/z int. rel.int. 129.6 2.72 2 129.7 4.21 4 129.8 6.25 6 129.9 7.92 7 130.0 8.61 8 130.1 8.65 8 130.2 8.83 8 130.3 9.14 9 130.4 8.77 8 130.5 7.48 7 130.6 6.44 6 130.7 7.17 7 130.8 10.14 10 130.9 14.38 14 131.0 18.0 17 131.1 19.41 19 131.2 18.41 18 131.3 15.77 15 131.4 11.91 11 131.5 7.09 7 131.6 2.68 2 141.7 3.11 3 141.8 4.93 4 141.9 6.78 6 142.0 8.45 8 142.1 9.59 9 142.2 9.5 9 142.3 7.72 7 142.6 4.38 4 142.7 6.31 6 142.8 8.52 8 142.9 10.97 10 143.0 13.33 13 143.1 14.49 14 143.2 13.72 13 143.3 11.43 11 143.4 8.54 8 143.7 8.0 7 143.8 11.16 11 143.9 13.43 13 144.0 14.14 14 144.1 13.98 13 144.2 13.52 13 144.3 12.42 12 144.4 10.41 10 144.7 9.27 9 144.8 12.71 12 144.9 17.62 17 145.0 23.19 23 145.1 27.33 27 145.2 27.57 27 145.3 23.2 23 145.4 15.87 15 145.5 8.24 8 145.6 2.62 2 146.7 1.97 1 146.8 3.7 3 146.9 5.71 5 147.0 6.95 6 147.1 6.76 6 147.2 5.31 5 147.3 3.34 3 153.3 1.18 1 153.4 2.23 2 153.5 4.21 4 153.6 7.28 7 153.7 11.35 11 153.8 16.26 16 153.9 21.45 21 154.0 25.56 25 154.1 27.23 27 154.2 26.05 26 154.3 21.94 21 154.4 14.99 14 154.5 6.89 6 154.6 0.96 0 155.4 3.14 3 155.5 5.04 5 155.6 7.47 7 155.7 9.94 9 155.8 12.44 12 155.9 15.04 15 156.0 17.44 17 156.1 19.13 19 156.2 19.61 19 156.3 18.48 18 156.6 12.54 12 156.7 18.71 18 156.8 31.23 31 156.9 46.07 46 157.0 57.68 57 157.1 62.2 62 157.2 59.08 59 157.3 50.54 50 157.4 39.38 39 157.5 27.68 27 157.7 14.94 14 157.8 20.45 20 157.9 31.4 31 158.0 40.77 40 158.1 43.51 43 158.2 39.41 39 158.3 31.2 31 158.4 21.88 21 158.5 13.75 13 158.7 8.8 8 158.8 13.45 13 158.9 20.41 20 159.0 25.87 25 159.1 27.36 27 159.2 25.25 25 159.3 20.85 20 159.4 14.73 14 159.5 7.92 7 159.8 3.04 3 159.9 4.96 4 160.0 6.19 6 160.1 6.66 6 160.2 6.36 6 160.3 5.18 5 160.4 3.27 3 166.7 1.91 1 166.8 3.05 3 166.9 3.98 3 167.0 4.8 4 167.1 5.41 5 167.2 5.47 5 167.3 5.03 5 167.4 4.58 4 167.5 4.73 4 167.6 6.2 6 167.7 9.77 9 167.8 15.35 15 167.9 21.39 21 168.0 25.87 25 168.1 27.82 27 168.2 27.38 27 168.3 24.73 24 168.4 19.88 19 168.5 13.61 13 168.8 7.43 7 168.9 11.48 11 169.0 15.26 15 169.1 17.44 17 169.2 18.37 18 169.3 18.16 18 169.4 15.92 15 169.7 11.46 11 169.8 16.65 16 169.9 21.81 21 170.0 24.43 24 170.1 24.53 24 170.2 23.18 23 170.3 20.33 20 170.4 15.11 15 170.5 8.24 8 170.6 2.44 2 171.5 2.27 2 171.6 3.49 3 171.7 4.75 4 171.8 5.97 5 171.9 7.33 7 172.0 8.93 8 172.1 10.13 10 172.2 9.9 9 172.3 8.58 8 172.4 8.33 8 172.5 11.3 11 172.6 18.78 18 172.7 31.82 31 172.8 50.03 49 172.9 70.07 69 173.0 87.22 87 173.1 98.01 97 173.2 100.0 99 173.3 90.72 90 173.4 69.79 69 173.5 42.55 42 173.6 19.11 19 173.8 8.03 8 173.9 14.86 14 174.0 21.66 21 174.1 24.98 24 174.2 24.12 24 174.3 19.96 19 174.4 13.93 13 174.5 7.46 7 174.6 2.2 2 182.6 2.29 2 182.7 3.68 3 182.8 5.25 5 182.9 6.84 6 183.0 8.68 8 183.1 10.62 10 183.2 11.5 11 183.3 10.1 10 183.4 6.95 6 183.7 5.19 5 183.8 7.87 7 183.9 11.16 11 184.0 14.27 14 184.1 16.1 16 184.2 15.96 15 184.5 11.02 11 184.6 13.39 13 184.7 19.13 19 184.8 27.77 27 184.9 38.56 38 185.0 49.45 49 185.1 56.85 56 185.2 57.29 57 185.3 49.34 49 185.4 34.59 34 185.5 17.71 17 185.6 4.52 4 187.3 2.67 2 187.4 4.3 4 187.5 7.04 7 187.6 11.83 11 187.7 20.48 20 187.8 34.27 34 187.9 51.28 51 188.0 66.61 66 188.1 76.27 76 188.2 79.31 79 188.3 74.73 74 188.4 60.0 59 188.5 36.38 36 188.6 12.71 12 188.7 0.03 0 197.8 2.44 2 197.9 3.61 3 198.0 4.97 4 198.1 6.01 6 198.2 6.21 6 198.3 5.36 5 198.4 3.7 3 199.5 3.03 3 199.6 4.45 4 199.7 7.27 7 199.8 12.17 12 199.9 19.22 19 200.0 27.17 27 200.1 33.41 33 200.2 35.54 35 200.3 32.8 32 200.4 25.7 25 200.5 15.75 15 200.6 5.97 5 200.7 0.17 0 //