MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004219

(E)-2-METHYLCROTONIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004219
RECORD_TITLE: (E)-2-METHYLCROTONIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: (E)-2-METHYLCROTONIC ACID METHYL ESTER
CH$NAME: TIGLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: COC(=O)C(C)=C([H])C
CH$IUPAC: InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
CH$LINK: CAS 6622-76-0
CH$LINK: INCHIKEY YYJWBYNQJLBIGS-SNAWJCMRSA-N
CH$LINK: COMPTOX DTXSID30878830

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AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0bu0-9200000000-480300cd80badc159791
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
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  114 60.2 602
  115 3.8 38
//