ACCESSION: MSBNK-RIKEN_NPDepo-NGA02278
RECORD_TITLE: 1alpha-Hydroxy-1-desoxotamirin; 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: Origin: Plant
COMMENT: SubCategory_DNP: Sesquiterpenoids

CH$NAME: 1alpha-Hydroxy-1-desoxotamirin
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₁₅H₂₀O₄
CH$EXACT_MASS: 264.3243
CH$SMILES: C=C1C(=O)O[C@H]2CC(=C)[C@@H](O)CC/C(C)=C/[C@@H](O)C12
CH$IUPAC: InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6+/t11-,12+,13-,14?/m0/s1
CH$LINK: CAS 60362-95-0
CH$LINK: CHEMSPIDER 8168554
CH$LINK: INCHIKEY KNEQPJSDSYNUHP-FPTOJPCGSA-N
CH$LINK: COMPTOX DTXSID50433869
CH$LINK: PUBCHEM CID:9992972

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$SPLASH: splash10-0udi-1950000000-d35b795f253da8e9fc6e
PK$NUM_PEAK: 356
PK$PEAK: m/z int. rel.int.
  80.3 1.38 1
  80.4 4.12 4
  80.5 7.88 7
  80.6 11.13 11
  80.7 13.92 13
  80.8 18.47 18
  80.9 24.71 24
  81.0 29.46 29
  81.1 30.37 30
  81.2 28.53 28
  81.3 25.09 25
  81.4 18.99 18
  81.5 10.53 10
  81.6 3.0 2
  90.5 0.78 0
  90.6 2.96 2
  90.7 7.12 7
  90.8 11.87 11
  90.9 14.8 14
  91.0 14.1 14
  91.1 10.24 10
  91.2 5.75 5
  91.3 2.91 2
  92.4 1.23 1
  92.5 2.79 2
  92.6 5.51 5
  92.7 8.96 8
  92.8 12.37 12
  92.9 15.02 15
  93.0 16.45 16
  93.1 16.46 16
  93.2 14.82 14
  93.3 11.3 11
  93.4 6.55 6
  93.5 2.39 2
  94.5 1.77 1
  94.6 3.01 3
  94.7 4.31 4
  94.8 5.82 5
  94.9 7.64 7
  95.0 9.18 9
  95.1 9.64 9
  95.2 8.78 8
  95.3 6.81 6
  95.4 4.2 4
  96.5 1.58 1
  96.6 2.62 2
  96.7 4.93 4
  96.8 8.91 8
  96.9 12.89 12
  97.0 14.54 14
  97.1 13.1 13
  97.2 9.84 9
  97.3 6.29 6
  97.4 3.28 3
  104.6 3.37 3
  104.7 4.37 4
  104.8 6.91 6
  104.9 10.47 10
  105.0 12.56 12
  105.1 11.78 11
  105.2 9.88 9
  105.3 8.86 8
  105.4 7.97 7
  105.5 5.56 5
  105.6 2.46 2
  106.7 3.47 3
  106.8 6.99 6
  106.9 13.68 13
  107.0 20.88 20
  107.1 25.07 25
  107.2 23.93 23
  107.3 17.56 17
  107.4 8.89 8
  107.5 2.14 2
  108.6 0.9 0
  108.7 3.04 3
  108.8 6.02 6
  108.9 8.07 8
  109.0 8.24 8
  109.1 7.47 7
  109.2 6.89 6
  109.3 6.17 6
  109.4 4.48 4
  109.5 2.24 2
  122.3 1.0 0
  122.4 3.23 3
  122.5 5.69 5
  122.6 6.64 6
  122.7 6.55 6
  122.8 8.23 8
  122.9 13.34 13
  123.0 20.05 20
  123.1 24.75 24
  123.2 24.91 24
  123.3 20.27 20
  123.4 12.75 12
  123.5 5.55 5
  123.6 1.41 1
  130.7 3.11 3
  130.8 4.87 4
  130.9 7.55 7
  131.0 9.53 9
  131.1 9.62 9
  131.2 8.27 8
  131.3 6.48 6
  131.4 4.65 4
  131.5 2.79 2
  132.2 0.4 0
  132.3 1.8 1
  132.4 5.61 5
  132.5 12.05 12
  132.6 19.62 19
  132.7 27.35 27
  132.8 36.63 36
  132.9 48.83 48
  133.0 60.42 60
  133.1 64.8 64
  133.2 59.88 59
  133.3 48.95 48
  133.4 34.85 34
  133.5 19.03 19
  133.6 5.42 5
  133.7 0.0 0
  142.2 1.26 1
  142.3 2.87 2
  142.4 4.73 4
  142.5 6.3 6
  142.6 8.08 8
  142.7 10.97 10
  142.8 15.75 15
  142.9 22.59 22
  143.0 29.64 29
  143.1 33.03 32
  143.2 30.21 30
  143.3 22.57 22
  143.4 13.69 13
  143.5 6.25 6
  143.6 1.6 1
  144.5 0.94 0
  144.6 2.78 2
  144.7 6.69 6
  144.8 10.82 10
  144.9 13.04 13
  145.0 12.57 12
  145.1 10.32 10
  145.2 7.76 7
  145.3 5.61 5
  145.4 3.74 3
  148.7 3.23 3
  148.8 4.37 4
  148.9 6.83 6
  149.0 9.01 9
  149.1 8.95 8
  149.2 6.47 6
  149.3 3.24 3
  150.3 1.06 1
  150.4 3.25 3
  150.5 6.79 6
  150.6 10.72 10
  150.7 15.08 15
  150.8 20.0 19
  150.9 24.65 24
  151.0 27.58 27
  151.1 28.74 28
  151.2 28.82 28
  151.3 26.54 26
  151.4 19.81 19
  151.5 10.05 10
  151.6 2.13 2
  156.8 3.46 3
  156.9 5.74 5
  157.0 9.11 9
  157.1 11.56 11
  157.2 11.08 11
  157.3 7.92 7
  157.4 4.26 4
  158.4 1.21 1
  158.5 3.11 3
  158.6 5.99 5
  158.7 8.75 8
  158.8 11.22 11
  158.9 14.03 14
  159.0 16.42 16
  159.1 16.53 16
  159.2 14.01 13
  159.3 10.29 10
  159.4 6.46 6
  159.5 2.94 2
  167.8 2.1 2
  167.9 4.28 4
  168.0 6.83 6
  168.1 7.68 7
  168.2 6.12 6
  168.3 3.39 3
  168.6 2.03 2
  168.7 3.7 3
  168.8 4.75 4
  168.9 4.9 4
  169.0 4.56 4
  169.1 4.06 4
  169.2 3.39 3
  169.3 2.62 2
  169.4 1.87 1
  169.5 1.25 1
  169.6 0.82 0
  169.7 0.65 0
  169.8 0.65 0
  169.9 0.68 0
  170.0 0.7 0
  170.1 0.71 0
  170.2 0.66 0
  170.3 0.56 0
  170.4 0.56 0
  170.5 0.87 0
  170.6 1.57 1
  170.7 2.41 2
  170.8 3.02 3
  170.9 3.29 3
  171.0 3.58 3
  171.1 4.13 4
  171.2 4.44 4
  171.3 3.85 3
  172.3 1.94 1
  172.4 3.41 3
  172.5 4.96 4
  172.6 6.77 6
  172.7 12.06 12
  172.8 22.3 22
  172.9 34.1 34
  173.0 41.55 41
  173.1 41.69 41
  173.2 36.53 36
  173.3 29.09 29
  173.4 20.13 20
  173.5 10.34 10
  173.6 2.54 2
  180.8 2.99 2
  180.9 4.49 4
  181.0 6.2 6
  181.1 6.58 6
  181.2 4.89 4
  181.3 2.33 2
  182.3 0.78 0
  182.4 3.52 3
  182.5 8.68 8
  182.6 15.97 15
  182.7 24.81 24
  182.8 35.8 35
  182.9 47.56 47
  183.0 55.26 55
  183.1 56.12 56
  183.2 53.01 52
  183.3 48.42 48
  183.4 39.31 39
  183.5 23.72 23
  183.6 7.59 7
  183.7 0.36 0
  188.6 1.32 1
  188.7 3.07 3
  188.8 6.75 6
  188.9 9.95 9
  189.0 10.43 10
  189.1 8.66 8
  189.2 6.79 6
  189.3 5.63 5
  189.4 4.3 4
  189.5 2.42 2
  191.1 1.62 1
  191.2 3.21 3
  191.3 4.55 4
  191.4 4.67 4
  191.5 3.39 3
  192.6 2.33 2
  192.7 4.08 4
  192.8 5.8 5
  192.9 7.06 7
  193.0 8.0 7
  193.1 8.94 8
  193.2 9.39 9
  193.3 8.18 8
  193.4 5.19 5
  193.5 2.04 2
  200.2 0.12 0
  200.3 0.65 0
  200.4 5.36 5
  200.5 13.14 13
  200.6 21.07 21
  200.7 30.44 30
  200.8 47.02 46
  200.9 70.76 70
  201.0 91.28 91
  201.1 100.0 99
  201.2 99.69 99
  201.3 94.63 94
  201.4 80.28 80
  201.5 52.76 52
  201.6 21.32 21
  201.7 1.9 1
  210.6 0.63 0
  210.7 3.64 3
  210.8 11.75 11
  210.9 20.35 20
  211.0 23.79 23
  211.1 20.7 20
  211.2 14.6 14
  211.3 9.04 9
  211.4 4.9 4
  211.5 2.21 2
  218.6 1.65 1
  218.7 3.45 3
  218.8 7.2 7
  218.9 12.46 12
  219.0 17.12 17
  219.1 19.16 19
  219.2 17.97 17
  219.3 14.01 13
  219.4 8.49 8
  219.5 3.4 3
  228.3 1.08 1
  228.4 2.44 2
  228.5 6.31 6
  228.6 12.09 12
  228.7 19.53 19
  228.8 30.18 30
  228.9 44.96 44
  229.0 60.56 60
  229.1 71.71 71
  229.2 75.37 75
  229.3 69.62 69
  229.4 52.68 52
  229.5 28.28 28
  229.6 7.48 7
  229.7 0.02 0
  246.6 2.44 2
  246.7 4.05 4
  246.8 7.62 7
  246.9 13.89 13
  247.0 20.92 20
  247.1 25.72 25
  247.2 26.23 26
  247.3 22.05 22
  247.4 14.46 14
  247.5 6.42 6
  247.6 1.24 1
  264.6 1.67 1
  264.7 3.41 3
  264.8 7.31 7
  264.9 12.04 12
  265.0 14.08 14
  265.1 12.37 12
  265.2 10.03 10
  265.3 9.36 9
  265.4 8.65 8
  265.5 5.89 5
  265.6 2.41 2
//