ACCESSION: MSBNK-Keio_Univ-KO003895
RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-03di-0961100000-e9a2f01e805944f3e574
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  68.100 9901.0 3
  107.700 19802.0 7
  109.700 14851.5 5
  114.100 54455.5 19
  114.700 9901.0 3
  125.100 108911.0 37
  143.100 64356.5 22
  144.000 49505.0 17
  145.100 59406.0 20
  155.100 34653.5 12
  161.200 1707922.5 585
  162.400 202970.5 70
  163.300 2915844.5 999
  165.100 19802.0 7
  176.100 14851.5 5
  187.000 99010.0 34
  203.400 1554457.0 533
  212.700 9901.0 3
  226.300 183168.5 63
  228.900 19802.0 7
  239.300 44554.5 15
  257.400 178218.0 61
  258.100 49505.0 17
  258.500 39604.0 14
  259.400 193069.5 66
  275.500 188119.0 64
  277.500 163366.5 56
  283.400 29703.0 10
  289.600 44554.5 15
  293.400 772278.0 265
  294.600 34653.5 12
  295.400 445545.0 153
  305.400 29703.0 10
  307.300 287129.0 98
  319.600 19802.0 7
  324.800 534654.0 183
  326.900 14851.5 5
  336.400 19802.0 7
  420.300 49505.0 17
  438.700 118812.0 41
  455.700 163366.5 56
  456.300 301980.5 103
  479.200 14851.5 5
  616.800 69307.0 24
//