MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000077

ISOBUTYL PARA HYDROXY BENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000077
RECORD_TITLE: ISOBUTYL PARA HYDROXY BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: ISOBUTYL PARA HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₃
CH$EXACT_MASS: 194.09429
CH$SMILES: CC(C)COC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
CH$LINK: INCHIKEY XPJVKCRENWUEJH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020749

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00dr-4900000000-3d0134adeb830e265010
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 4.78 48
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//