ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003862
RECORD_TITLE: METHYLPHENIDATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: METHYLPHENIDATE
CH$NAME: METHYL ALPHA-PHENYL-ALPHA-(2-PIPERIDYL)ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₉NO₂
CH$EXACT_MASS: 233.14158
CH$SMILES: COC(=O)C(C(C2)NCCC2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
CH$LINK: INCHIKEY DUGOZIWVEXMGBE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023299

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-001i-9100000000-c75de12fbdae54dce658
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  39 1.9 19
  40 0.9 9
  41 4.9 49
  42 0.24 2
  43 1.4 14
  44 1.9 19
  45 0.9 9
  46 0.04 0
  53 0.4 4
  54 1.9 19
  55 8.4 84
  56 0.49 5
  57 1.4 14
  58 0.4 4
  59 0.9 9
  65 0.34 3
  66 0.9 9
  67 0.9 9
  68 0.9 9
  69 0.09 1
  77 2.4 24
  78 0.9 9
  79 0.9 9
  80 0.09 1
  81 0.4 4
  82 3.4 34
  83 4.9 49
  84 99.99 999
  85 4.9 49
  86 0.4 4
  87 0.9 9
  88 0.04 0
  89 0.9 9
  90 2.4 24
  91 18.4 184
  92 0.24 2
  93 0.4 4
  102 0.9 9
  103 1.4 14
  104 0.09 1
  105 1.4 14
  106 0.4 4
  114 0.4 4
  115 0.16 2
  116 0.9 9
  117 1.9 19
  118 2.4 24
  119 0.09 1
  120 1.1 11
  127 0.4 4
  128 0.9 9
  129 0.09 1
  130 1.4 14
  131 0.9 9
  132 0.4 4
  144 0.09 1
  145 0.4 4
  148 0.4 4
  149 0.9 9
  150 0.79 8
  151 0.9 9
  152 0.4 4
  172 1.4 14
  173 0.09 1
  174 0.9 9
  232 0.4 4
  233 0.9 9
  234 0.04 0
  235 0.4 4
//