ACCESSION: MSBNK-RIKEN_NPDepo-CB000291
RECORD_TITLE: Isoguanosine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Purines

CH$NAME: Isoguanosine
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C₁₀H₁₃N₅O₅
CH$EXACT_MASS: 283.2456
CH$SMILES: Nc1nc(O)nc2c1ncn2C1OC(CO)C(O)C1O
CH$IUPAC: InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)
CH$LINK: CAS 1818-71-9
CH$LINK: CHEMSPIDER 58595 194596
CH$LINK: INCHIKEY MIKUYHXYGGJMLM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70939474
CH$LINK: PUBCHEM CID:223996

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0f89-0790000000-8adcbc874cbcd1bb3c6e
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  134.4000 111230.1641 21
  134.5000 149538.4531 29
  134.6000 115508.2266 22
  134.7000 187068.8906 37
  134.8000 220126.8281 43
  134.9000 161983.7969 32
  135.0000 237822.5000 47
  135.1000 157122.3125 31
  135.2000 187846.7500 37
  135.3000 139426.6250 27
  135.4000 110257.8594 21
  151.4000 1117552.0000 227
  151.5000 2959461.5000 603
  151.6000 3068552.5000 625
  151.7000 3186394.0000 649
  151.8000 2861065.5000 583
  151.9000 3223341.5000 657
  152.0000 3309680.2500 674
  152.1000 2942349.0000 599
  152.2000 2615464.2500 532
  152.3000 2382503.7500 485
  152.4000 1935443.6250 394
  152.5000 821586.5000 166
  152.6000 298493.5000 59
  152.7000 222460.2813 44
  152.8000 264268.9063 52
  152.9000 204959.0625 40
  153.0000 382694.0000 77
  153.1000 224015.9844 44
  153.2000 230433.1250 46
  153.3000 223238.1563 44
  153.4000 188430.1250 37
  283.3000 1465632.3750 298
  283.4000 2296747.5000 467
  283.5000 2172877.2500 442
  283.6000 2865343.5000 583
  283.7000 3116972.7500 635
  283.8000 3579394.5000 729
  283.9000 2956933.7500 602
  284.0000 3297819.0000 672
  284.1000 3095776.7500 630
  284.2000 3106083.0000 633
  284.3000 4898405.5000 999
  284.4000 1455715.0000 296
  284.5000 770249.5000 156
  284.6000 592125.6250 119
  284.7000 475450.5938 96
  284.8000 405251.1875 81
  284.9000 487312.6563 98
  285.0000 433447.6563 87
  285.1000 629656.0000 127
  285.2000 418279.8438 84
  285.3000 349052.7813 70
  285.4000 253962.5781 50
  285.5000 117258.3750 22
  285.8000 109285.5781 21
  294.7000 261740.9063 52
  310.9000 270880.4375 54
  361.5000 159844.7500 31
  361.6000 131064.8984 25
  361.7000 181235.1719 35
  361.8000 201069.8906 40
  361.9000 153816.5313 30
  362.0000 264657.7500 53
  362.1000 243850.7344 48
  362.2000 146427.1250 28
  362.3000 195430.6250 38
  566.5000 139815.5156 27
  566.6000 209820.5313 41
  566.7000 230433.1094 46
  566.8000 223238.1563 44
  566.9000 293437.6250 58
  567.0000 139815.5156 27
  567.1000 181040.7031 35
  567.2000 132231.6563 25
  567.3000 132426.0938 26
//