ACCESSION: MSBNK-Keio_Univ-KO003901
RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++
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$FOCUSED_ION: PRECURSOR_M/Z 308.5
MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++

PK$SPLASH: splash10-00si-9200000000-ece5f6ec41fb40d49139
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  42.900 34653.5 25
  44.200 123762.5 90
  45.000 34653.5 25
  55.100 138614.0 101
  56.200 222772.5 162
  58.300 64356.5 47
  60.200 693070.0 503
  61.100 54455.5 40
  68.000 757426.5 550
  69.000 569307.5 413
  70.000 311881.5 226
  72.100 1262377.5 916
  72.900 123762.5 90
  80.100 975248.5 708
  80.900 257426.0 187
  82.300 202970.5 147
  83.000 79208.0 57
  84.000 1376239.0 999
  85.300 658416.5 478
  86.300 188119.0 137
  87.000 34653.5 25
  92.100 39604.0 29
  92.400 14851.5 11
  94.400 24752.5 18
  95.400 49505.0 36
  96.200 415842.0 302
  97.200 663367.0 482
  98.200 504951.0 367
  99.000 59406.0 43
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  106.700 39604.0 29
  108.300 425743.0 309
  109.100 113861.5 83
  110.200 178218.0 129
  113.000 69307.0 50
  114.400 262376.5 190
  119.300 14851.5 11
  123.000 19802.0 14
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  126.200 138614.0 101
  128.200 54455.5 40
  132.000 44554.5 32
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  146.400 64356.5 47
  151.800 19802.0 14
  161.100 34653.5 25
  163.100 212871.5 155
//