ACCESSION: MSBNK-RIKEN_NPDepo-NGA00223
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?/m1/s1
CH$LINK: CAS 3162-56-9
CH$LINK: CHEMSPIDER 8168554
CH$LINK: INCHIKEY KNEQPJSDSYNUHP-LPQMCWESSA-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$SPLASH: splash10-0udi-1950000000-c7d5ae4db13fb89f1497
PK$NUM_PEAK: 320
PK$PEAK: m/z int. rel.int.
  80.3 1.21 1
  80.4 2.48 2
  80.5 4.61 4
  80.6 7.57 7
  80.7 11.16 11
  80.8 15.28 15
  80.9 19.78 19
  81.0 23.72 23
  81.1 25.19 25
  81.2 22.48 22
  81.3 15.8 15
  81.4 7.85 7
  81.5 2.01 2
  90.4 1.75 1
  90.5 3.84 3
  90.6 6.34 6
  90.7 8.01 8
  90.8 8.24 8
  90.9 7.63 7
  91.0 7.07 7
  91.1 6.59 6
  91.2 5.53 5
  91.3 3.7 3
  92.4 2.44 2
  92.5 3.65 3
  92.6 5.03 5
  92.7 6.9 6
  92.8 9.42 9
  92.9 12.0 11
  93.0 13.29 13
  93.1 12.06 12
  93.2 8.51 8
  93.3 4.36 4
  94.5 1.17 1
  94.6 3.27 3
  94.7 7.21 7
  94.8 11.42 11
  94.9 13.47 13
  95.0 12.72 12
  95.1 10.79 10
  95.2 8.95 8
  95.3 6.78 6
  95.4 3.99 3
  96.7 2.31 2
  96.8 3.72 3
  96.9 5.29 5
  97.0 6.75 6
  97.1 7.99 7
  97.2 8.68 8
  97.3 8.32 8
  97.4 6.66 6
  97.5 4.13 4
  104.4 1.12 1
  104.5 3.36 3
  104.6 6.42 6
  104.7 9.17 9
  104.8 11.18 11
  104.9 12.39 12
  105.0 12.12 12
  105.1 9.69 9
  105.2 6.06 6
  105.3 3.12 3
  106.6 2.64 2
  106.7 5.79 5
  106.8 12.66 12
  106.9 20.38 20
  107.0 23.99 23
  107.1 21.26 21
  107.2 15.05 15
  107.3 9.62 9
  107.4 6.23 6
  107.5 3.72 3
  108.6 1.81 1
  108.7 2.98 2
  108.8 4.82 4
  108.9 6.65 6
  109.0 7.32 7
  109.1 6.34 6
  109.2 4.45 4
  109.3 2.7 2
  118.5 0.49 0
  118.6 1.7 1
  118.7 4.75 4
  118.8 8.73 8
  118.9 11.22 11
  119.0 10.45 10
  119.1 7.28 7
  119.2 4.04 4
  120.7 2.37 2
  120.8 3.76 3
  120.9 5.39 5
  121.0 6.31 6
  121.1 5.49 5
  121.2 3.28 3
  122.3 2.49 2
  122.4 3.98 3
  122.5 6.34 6
  122.6 9.59 9
  122.7 13.69 13
  122.8 18.5 18
  122.9 23.73 23
  123.0 28.81 28
  123.1 32.45 32
  123.2 32.09 32
  123.3 25.67 25
  123.4 14.83 14
  123.5 4.78 4
  130.3 0.36 0
  130.4 1.85 1
  130.5 6.0 5
  130.6 11.7 11
  130.7 15.33 15
  130.8 14.18 14
  130.9 9.61 9
  131.0 5.51 5
  132.4 2.98 2
  132.5 4.22 4
  132.6 8.94 8
  132.7 19.84 19
  132.8 35.39 35
  132.9 48.99 48
  133.0 55.05 54
  133.1 54.07 54
  133.2 48.75 48
  133.3 38.64 38
  133.4 23.47 23
  133.5 8.44 8
  133.6 0.09 0
  142.4 1.09 1
  142.5 3.0 2
  142.6 5.49 5
  142.7 7.97 7
  142.8 11.59 11
  142.9 17.54 17
  143.0 23.5 23
  143.1 24.99 24
  143.2 20.66 20
  143.3 13.7 13
  143.4 7.68 7
  143.5 3.65 3
  144.3 3.9 3
  144.4 5.21 5
  144.5 6.89 6
  144.6 8.32 8
  144.7 8.86 8
  144.8 8.84 8
  144.9 9.73 9
  145.0 12.33 12
  145.1 14.83 14
  145.2 14.23 14
  145.3 9.9 9
  145.4 4.51 4
  146.7 2.46 2
  146.8 4.12 4
  146.9 5.76 5
  147.0 6.56 6
  147.1 6.09 6
  147.2 4.7 4
  147.3 3.12 3
  150.4 2.21 2
  150.5 4.65 4
  150.6 9.97 9
  150.7 17.8 17
  150.8 25.17 25
  150.9 29.03 29
  151.0 29.42 29
  151.1 28.59 28
  151.2 27.73 27
  151.3 25.93 25
  151.4 21.75 21
  151.5 15.02 15
  151.6 7.46 7
  151.7 1.94 1
  156.6 1.67 1
  156.7 3.32 3
  156.8 5.77 5
  156.9 8.44 8
  157.0 10.39 10
  157.1 10.75 10
  157.2 9.43 9
  157.3 7.21 7
  157.4 4.95 4
  157.5 2.99 2
  158.7 2.96 2
  158.8 4.9 4
  158.9 6.92 6
  159.0 8.05 8
  159.1 7.83 7
  159.2 6.44 6
  159.3 4.37 4
  159.4 2.3 2
  160.8 2.53 2
  160.9 4.58 4
  161.0 6.53 6
  161.1 6.9 6
  161.2 5.4 5
  161.3 3.35 3
  170.9 1.67 1
  171.0 3.47 3
  171.1 5.69 5
  171.2 6.65 6
  171.3 5.41 5
  171.4 2.91 2
  172.3 1.56 1
  172.4 2.71 2
  172.5 4.39 4
  172.6 6.97 6
  172.7 11.1 11
  172.8 17.33 17
  172.9 24.89 24
  173.0 31.09 31
  173.1 32.58 32
  173.2 27.79 27
  173.3 18.28 18
  173.4 8.07 8
  173.5 1.34 1
  182.4 0.95 0
  182.5 3.98 3
  182.6 10.44 10
  182.7 19.58 19
  182.8 29.85 29
  182.9 40.25 40
  183.0 49.91 49
  183.1 55.92 55
  183.2 53.53 53
  183.3 40.89 40
  183.4 22.72 22
  183.5 7.31 7
  183.6 0.18 0
  186.7 1.76 1
  186.8 3.65 3
  186.9 6.18 6
  187.0 7.98 7
  187.1 7.98 7
  187.2 6.27 6
  187.3 3.85 3
  188.8 2.09 2
  188.9 4.29 4
  189.0 6.86 6
  189.1 7.64 7
  189.2 5.65 5
  189.3 2.47 2
  192.6 1.06 1
  192.7 2.4 2
  192.8 4.36 4
  192.9 6.14 6
  193.0 7.17 7
  193.1 7.52 7
  193.2 7.25 7
  193.3 6.06 6
  193.4 3.95 3
  200.2 1.12 1
  200.3 3.71 3
  200.4 7.93 7
  200.5 12.26 12
  200.6 16.62 16
  200.7 22.99 22
  200.8 34.69 34
  200.9 53.52 53
  201.0 76.64 76
  201.1 95.46 95
  201.2 99.99 99
  201.3 86.34 86
  201.4 59.7 59
  201.5 30.44 30
  201.6 8.27 8
  201.7 0.01 0
  210.7 2.71 2
  210.8 5.56 5
  210.9 9.39 9
  211.0 11.63 11
  211.1 11.06 11
  211.2 9.05 9
  211.3 7.33 7
  211.4 5.92 5
  211.5 4.0 3
  218.4 0.75 0
  218.5 2.61 2
  218.6 6.29 6
  218.7 10.52 10
  218.8 13.48 13
  218.9 14.91 14
  219.0 16.21 16
  219.1 17.98 17
  219.2 18.65 18
  219.3 16.25 16
  219.4 10.88 10
  219.5 5.05 5
  219.6 1.13 1
  228.3 1.64 1
  228.4 3.03 3
  228.5 4.75 4
  228.6 7.29 7
  228.7 12.76 12
  228.8 22.81 22
  228.9 36.06 36
  229.0 48.0 47
  229.1 54.84 54
  229.2 55.12 55
  229.3 48.0 47
  229.4 33.65 33
  229.5 16.36 16
  229.6 3.3 3
  246.6 0.99 0
  246.7 2.34 2
  246.8 6.7 6
  246.9 14.16 14
  247.0 21.46 21
  247.1 23.71 23
  247.2 19.2 19
  247.3 11.19 11
  247.4 4.39 4
  264.9 2.91 2
  265.0 4.06 4
  265.1 5.25 5
  265.2 6.55 6
  265.3 7.8 7
  265.4 8.05 8
  265.5 6.44 6
  265.6 3.57 3
//