MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009209

PHENYLACETIC ACID; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009209
RECORD_TITLE: PHENYLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

---

CH$NAME: PHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: OC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
CH$LINK: INCHIKEY WLJVXDMOQOGPHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021656

---

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9100000000-de65c7c0092343a4e599
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 1.19 12
  38 2.03 20
  39 11.11 111
  41 1.38 14
  45 3.56 36
  50 3.11 31
  51 5.05 51
  52 1.73 17
  62 2.05 21
  63 6.51 65
  64 1.82 18
  65 15.59 156
  66 1.07 11
  77 2.33 23
  89 4.25 43
  90 2.93 29
  91 99.99 999
  92 20.12 201
  93 1.02 10
  136 30.07 301
  137 2.35 24
//