ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009340
RECORD_TITLE: (10-METHYL-9-ANTHRYL)METHYL PIVALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (10-METHYL-9-ANTHRYL)METHYL PIVALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₂O₂
CH$EXACT_MASS: 306.16198
CH$SMILES: O=C(OCc(c21)c(c3)c(ccc3)c(C)c(cccc2)1)C(C)(C)C
CH$IUPAC: InChI=1S/C21H22O2/c1-14-15-9-5-7-11-17(15)19(13-23-20(22)21(2,3)4)18-12-8-6-10-16(14)18/h5-12H,13H2,1-4H3
CH$LINK: INCHIKEY DJMFMJYBGUQQCQ-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0pb9-2291000000-cae08c3f3d8d3ca36809
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  39 8.1 81
  40 1.7 17
  41 23.8 238
  42 0.23 2
  43 1.2 12
  44 2.9 29
  50 1.7 17
  51 0.23 2
  53 1.2 12
  55 4.1 41
  56 8.1 81
  57 2.36 24
  58 1.2 12
  63 1.7 17
  75 1.7 17
  76 0.41 4
  77 1.7 17
  87 1.7 17
  88 5.2 52
  89 0.55 6
  95 1.2 12
  100 3.5 35
  101 12.2 122
  102 0.41 4
  103 1.2 12
  127 2.3 23
  128 1.2 12
  150 0.12 1
  151 1.7 17
  152 1.7 17
  163 1.2 12
  165 0.35 4
  174 1.2 12
  175 1.2 12
  176 3.5 35
  177 0.17 2
  178 7 70
  179 1.7 17
  187 1.2 12
  189 0.73 7
  190 4.1 41
  191 8.1 81
  192 2.9 29
  193 0.23 2
  200 4.1 41
  201 5.2 52
  202 25 250
  203 2.44 24
  204 57 570
  205 99.99 999
  206 19.8 198
  207 0.23 2
  248 1.2 12
  292 1.2 12
  306 30.8 308
  307 10 100
//