ACCESSION: MSBNK-Keio_Univ-KO003900
RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:40 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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 308.5
MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++

PK$SPLASH: splash10-01q9-9600000000-2c47cdaba859c2d358bd
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  43.900 123762.5 49
  53.900 29703.0 12
  55.100 99010.0 39
  56.100 222772.5 88
  57.200 133663.5 53
  60.200 1004951.5 398
  60.800 113861.5 45
  68.000 846535.5 336
  68.800 603961.0 239
  69.900 341584.5 135
  71.000 84158.5 33
  72.000 2306933.0 915
  72.900 123762.5 49
  80.000 1539605.5 610
  80.900 287129.0 114
  82.000 321782.5 128
  83.000 143564.5 57
  84.100 2376240.0 942
  84.900 1044555.5 414
  86.200 351485.5 139
  88.100 44554.5 18
  90.000 84158.5 33
  92.100 34653.5 14
  95.000 49505.0 20
  96.100 811882.0 322
  97.100 1445546.0 573
  97.900 975248.5 387
  99.100 217822.0 86
  99.800 64356.5 26
  101.000 24752.5 10
  102.000 1153466.5 457
  106.100 59406.0 24
  107.200 113861.5 45
  108.200 1113862.5 442
  109.100 252475.5 100
  110.000 282178.5 112
  111.400 54455.5 22
  114.200 1014852.5 402
  116.000 44554.5 18
  117.000 19802.0 8
  119.300 39604.0 16
  120.400 24752.5 10
  124.200 54455.5 22
  125.200 1138615.0 451
  125.900 514852.0 204
  126.600 64356.5 26
  128.100 94059.5 37
  133.200 69307.0 27
  137.900 29703.0 12
  143.200 123762.5 49
  144.200 574258.0 228
  145.100 544555.0 216
  146.000 173267.5 69
  151.000 49505.0 20
  156.700 19802.0 8
  157.800 29703.0 12
  158.300 9901.0 4
  161.300 623763.0 247
  162.400 168317.0 67
  163.100 2519804.5 999
  164.300 29703.0 12
  167.300 79208.0 31
  168.100 39604.0 16
  169.100 64356.5 26
  170.900 19802.0 8
  176.000 34653.5 14
  187.300 227723.0 90
  189.200 29703.0 12
  203.200 44554.5 18
  211.500 19802.0 8
  223.900 34653.5 14
  229.300 19802.0 8
  241.400 84158.5 33
  259.300 69307.0 27
  289.500 84158.5 33
//