MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001532

PHENYL ACETATE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001532
RECORD_TITLE: PHENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

---

CH$NAME: PHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: CC(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: INCHIKEY IPBVNPXQWQGGJP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3051626

---

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-46bc16d1beb8d7789c2e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  14 1.16 12
  15 5.97 60
  27 1.2 12
  37 1.07 11
  38 3.32 33
  39 13.69 137
  40 2.51 25
  42 1.34 13
  43 30.35 304
  50 2.27 23
  51 3.65 37
  55 1.86 19
  62 1.29 13
  63 3.32 33
  64 1.32 13
  65 9.44 94
  66 11.94 119
  77 2.75 28
  93 1.44 14
  94 99.99 999
  95 7.26 73
  136 14.57 146
  137 1.44 14
//