ACCESSION: MSBNK-Keio_Univ-KO003894
RECORD_TITLE: Paromomycin; 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 P126

CH$NAME: Paromomycin
CH$NAME: Zygomycin A1
CH$NAME: Catenulin
CH$NAME: Monomycin A
CH$NAME: Hydroxymycin
CH$NAME: Aminosidin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₄₅N₅O₁₄
CH$EXACT_MASS: 615.29630
CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OC(C(N)4)C(C(O)C(N)C4)OC(O3)C(O)C(C(CO)3)OC([H])(O2)C(N)C(O)C(O)C(CN)2
CH$IUPAC: InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-/m1/s1
CH$LINK: CAS 7542-37-2
CH$LINK: KEGG C00832
CH$LINK: NIKKAJI J8.952D
CH$LINK: PUBCHEM SID:4090
CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 616
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-02tc-0593508000-de5cede53269d3af5492
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  40.500 14851.5 5
  154.000 54455.5 18
  161.200 886139.5 300
  163.300 925743.5 313
  178.800 34653.5 12
  203.300 688119.5 233
  214.500 14851.5 5
  226.400 188119.0 64
  257.400 34653.5 12
  258.400 29703.0 10
  266.800 24752.5 8
  275.500 118812.0 40
  277.200 54455.5 18
  283.300 69307.0 23
  286.400 9901.0 3
  293.500 1782180.0 603
  295.600 178218.0 60
  307.600 108911.0 37
  324.500 1247526.0 422
  387.300 24752.5 8
  420.600 49505.0 17
  425.100 29703.0 10
  438.400 108911.0 37
  438.900 168317.0 57
  454.600 44554.5 15
  455.700 623763.0 211
  456.500 831684.0 282
  479.400 103960.5 35
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  581.200 24752.5 8
  616.600 2950498.0 999
  638.800 34653.5 12
//