ACCESSION: MSBNK-RIKEN_NPDepo-NGA02767
RECORD_TITLE: Adrenoglomerulotropin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
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: 216.2853
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: CHEMSPIDER 64188
CH$LINK: INCHIKEY RDUORFDQRFHYBF-QMMMGPOBSA-N
CH$LINK: PUBCHEM CID:768419

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$SPLASH: splash10-0udr-0950000000-359a77cafbb4ae446053
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  173.5 3.07 3
  173.6 4.78 4
  173.7 8.04 8
  173.8 12.84 12
  173.9 18.22 18
  174.0 22.66 22
  174.1 25.17 25
  174.2 25.5 25
  174.3 23.42 23
  174.4 18.35 18
  174.5 10.91 10
  174.6 3.77 3
  187.3 0.52 0
  187.4 2.05 2
  187.5 5.11 5
  187.6 10.21 10
  187.7 18.15 18
  187.8 29.65 29
  187.9 43.68 43
  188.0 56.71 56
  188.1 64.78 64
  188.2 66.39 66
  188.3 61.89 61
  188.4 51.13 51
  188.5 34.56 34
  188.6 16.37 16
  188.7 3.21 3
  199.3 0.85 0
  199.4 2.96 2
  199.5 7.16 7
  199.6 14.21 14
  199.7 25.48 25
  199.8 42.08 42
  199.9 62.73 62
  200.0 82.79 82
  200.1 96.42 96
  200.2 100.0 99
  200.3 92.57 92
  200.4 74.22 74
  200.5 47.56 47
  200.6 20.37 20
  200.7 2.27 2
//