MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000071

PROPYL PARA HYDROXY BENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000071
RECORD_TITLE: PROPYL 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$NAME: PROPYL PARA HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: CCCOC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
CH$LINK: INCHIKEY QELSKZZBTMNZEB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022527

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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$SPLASH: splash10-00dr-2900000000-5ad831b2650fc930116c
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 1.74 17
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  39 7.11 71
  41 1.74 17
  43 1.09 11
  53 1.09 11
  63 1.81 18
  64 1.45 15
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//