ACCESSION: MSBNK-Keio_Univ-KO003810
RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P070

CH$NAME: Protopine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₉NO₅
CH$EXACT_MASS: 353.12632
CH$SMILES: CN(C5)Cc(c1CC(=O)c(c3)c(C5)cc(O4)c(OC4)3)c(O2)c(OC2)cc1
CH$IUPAC: InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
CH$LINK: CAS 130-86-9
CH$LINK: CHEBI 16415
CH$LINK: KEGG C05189
CH$LINK: NIKKAJI J40.085H
CH$LINK: PUBCHEM SID:7594
CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90156282

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 354
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0629000000-f410a01812829c61b1b5
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  58.100 24752.5 1
  91.400 69307.0 1
  102.000 74257.5 1
  102.900 69307.0 1
  107.100 108911.0 2
  119.000 252475.5 5
  120.200 980199.0 18
  130.000 89109.0 2
  131.700 29703.0 1
  135.000 524753.0 10
  136.000 29703.0 1
  137.300 19802.0 1
  146.000 64356.5 1
  146.800 64356.5 1
  149.300 7361393.5 138
  158.900 59406.0 1
  160.800 69307.0 1
  162.100 1410892.5 26
  163.200 183168.5 3
  165.300 2311883.5 43
  166.300 1425744.0 27
  174.000 24752.5 1
  175.100 826733.5 16
  176.300 138614.0 3
  177.100 579208.5 11
  178.300 693070.0 13
  182.100 49505.0 1
  187.200 123762.5 2
  188.200 9901000.0 186
  189.200 11930705.0 224
  190.100 900991.0 17
  192.400 356436.0 7
  195.300 198020.0 4
  197.000 24752.5 1
  198.000 34653.5 1
  201.600 39604.0 1
  204.100 455446.0 9
  205.600 19802.0 1
  206.500 2900993.0 54
  207.100 133663.5 3
  208.200 673268.0 13
  217.000 29703.0 1
  218.500 74257.5 1
  223.200 153465.5 3
  225.100 470297.5 9
  225.700 34653.5 1
  235.400 321782.5 6
  237.300 108911.0 2
  239.200 54455.5 1
  240.100 14851.5 1
  245.400 64356.5 1
  247.500 1123763.5 21
  249.300 74257.5 1
  253.200 470297.5 9
  263.300 113861.5 2
  265.200 787129.5 15
  267.200 440594.5 8
  269.400 94059.5 2
  275.400 2519804.5 47
  278.100 79208.0 1
  278.500 118812.0 2
  279.100 29703.0 1
  281.600 54455.5 1
  283.300 237624.0 4
  291.400 54455.5 1
  292.500 29703.0 1
  293.200 693070.0 13
  295.300 554456.0 10
  297.100 14851.5 1
  303.700 29703.0 1
  305.700 643565.0 12
  306.500 173267.5 3
  307.400 143564.5 3
  311.600 207921.0 4
  320.000 99010.0 2
  321.500 237624.0 4
  323.400 861387.0 16
  324.600 59406.0 1
  325.800 54455.5 1
  326.400 59406.0 1
  334.600 178218.0 3
  336.000 99010.0 2
  336.500 2282180.5 43
  352.300 29703.0 1
  354.600 53198073.0 999
//