ACCESSION: MSBNK-Keio_Univ-KO003896
RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-03di-0930000000-cecb18fc9bfa829ab217
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  84.100 94059.5 49
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  144.300 103960.5 54
  145.400 59406.0 31
  161.100 816832.5 424
  162.100 193069.5 100
  163.400 1925744.5 999
  167.200 59406.0 31
  174.500 19802.0 10
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  187.200 158416.0 82
  202.100 19802.0 10
  203.600 529703.5 275
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  239.200 44554.5 23
  241.300 89109.0 46
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  403.300 19802.0 10
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//