ACCESSION: MSBNK-JEOL_Ltd-JEL00014
RECORD_TITLE: C60; MALDI-TOFTOF; MS2; CE: Ar 20kV; M+
DATE: 2016.01.19 (Created 2012.06.18)
AUTHORS: JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.

CH$NAME: C60
CH$NAME: Buckminsterfullerene
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C₆₀
CH$EXACT_MASS: 720.0
CH$SMILES: C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23
CH$IUPAC: InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59
CH$LINK: PUBCHEM CID:123591
CH$LINK: INCHIKEY XMWRBQBLMFGWIX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4031772

AC$INSTRUMENT: JMS-S3000
AC$INSTRUMENT_TYPE: MALDI-TOFTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_M/Z 719.99945
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+

PK$SPLASH: splash10-00or-0980031000-01e4ecafcf96e6bc85a8
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  59.99945 1509 9
  72.00340 3569 22
  83.99945 18107 112
  95.94856 13803 86
  107.99945 14582 91
  120.00758 65022 404
  131.99945 98281 610
  143.99069 37994 236
  155.99945 25010 155
  167.99599 113928 708
  179.99945 160824 999
  192.00838 57100 355
  203.99945 34971 217
  215.99484 97214 604
  227.99945 116806 726
  240.00532 64140 398
  251.99945 35867 223
  263.98737 66398 412
  275.99945 67204 417
  288.00896 43459 270
  299.99945 28446 177
  311.99617 18244 113
  323.99945 11066 69
  336.03587 6802 42
  455.99945 2761 17
  479.99945 13118 81
  503.99945 18169 113
  527.99945 61516 382
  551.99945 41649 259
  575.99945 43274 269
  599.99945 63707 396
  623.99945 22991 143
  647.99945 16652 103
  671.99945 31063 193
  695.83411 38174 237
//