MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003419
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003419
RECORD_TITLE: GERANIOL; 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
CH$NAME: GERANIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: OCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
CH$LINK: INCHIKEY
GLZPCOQZEFWAFX-JXMROGBWSA-N
CH$LINK: COMPTOX
DTXSID8026727
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9000000000-a4d79e7813b94cf0d54b
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
41 32.9 329
42 25.5 255
68 47.1 471
69 99.99 999
70 7.2 72
80 3.9 39
121 3.7 37
//
system version 2.2.6-SNAPSHOT