ACCESSION: MSBNK-RIKEN_NPDepo-NGA02765
RECORD_TITLE: Adrenoglomerulotropin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-00dr-0900000000-553f8ecb5bbe785c06c7
PK$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
//