MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003176

METHYL PHENIDATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003176
RECORD_TITLE: METHYL PHENIDATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL PHENIDATE
CH$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

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-001i-0090000000-b461cd02e59ebf84d3f9
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  151 2 20
  232 2 20
  234 99.99 999
  235 15 150
  236 2 20
//