ACCESSION: MSBNK-RIKEN_NPDepo-NGA02766
RECORD_TITLE: Adrenoglomerulotropin; 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: 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$SPLASH: splash10-0udr-0930000000-2a988deb26165300ec13
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  156.7 2.07 2
  156.8 3.33 3
  156.9 4.86 4
  157.0 6.09 6
  157.1 6.36 6
  157.2 5.63 5
  157.3 4.39 4
  168.7 3.34 3
  168.8 4.99 4
  168.9 7.56 7
  169.0 9.77 9
  169.1 10.64 10
  169.2 10.37 10
  169.3 9.55 9
  169.4 8.08 8
  169.5 5.7 5
  172.5 1.9 1
  172.6 2.97 2
  172.7 4.81 4
  172.8 7.45 7
  172.9 10.16 10
  173.0 11.89 11
  173.1 12.32 12
  173.2 12.05 12
  173.3 11.58 11
  173.4 10.71 10
  173.5 9.48 9
  173.6 9.19 9
  173.7 11.64 11
  173.8 17.26 17
  173.9 24.41 24
  174.0 30.58 30
  174.1 34.22 34
  174.2 35.13 35
  174.3 33.0 32
  174.4 26.73 26
  174.5 16.63 16
  174.6 6.25 6
  174.7 0.43 0
  184.5 2.24 2
  184.6 3.51 3
  184.7 5.8 5
  184.8 8.97 8
  184.9 12.31 12
  185.0 15.06 15
  185.1 16.98 16
  185.2 17.79 17
  185.3 16.45 16
  185.4 12.22 12
  185.5 6.34 6
  185.6 1.51 1
  187.3 0.52 0
  187.4 2.31 2
  187.5 6.53 6
  187.6 13.81 13
  187.7 25.01 24
  187.8 40.35 40
  187.9 57.99 57
  188.0 74.19 74
  188.1 85.32 85
  188.2 89.13 89
  188.3 83.62 83
  188.4 67.1 67
  188.5 41.99 41
  188.6 16.88 16
  188.7 1.43 1
  199.3 0.79 0
  199.4 3.46 3
  199.5 9.12 9
  199.6 18.56 18
  199.7 32.06 32
  199.8 49.23 49
  199.9 68.65 68
  200.0 86.73 86
  200.1 98.46 98
  200.2 100.0 99
  200.3 89.76 89
  200.4 68.15 68
  200.5 39.57 39
  200.6 13.47 13
  200.7 0.0 0
//