MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004671
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004671
RECORD_TITLE: NORCARANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: NORCARANE
CH$NAME: BICYCLO(4.1.0)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12
CH$EXACT_MASS: 96.09390
CH$SMILES: C(C2)CC(C1)C(C2)1
CH$IUPAC: InChI=1S/C7H12/c1-2-4-7-5-6(7)3-1/h6-7H,1-5H2
CH$LINK: CAS
286-08-8
CH$LINK: INCHIKEY
WPHGSKGZRAQSGP-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-0gc0-9000000000-e330b8a0a61cadd07dd2
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
41 26.38 264
42 2.66 27
51 3.41 34
53 20.04 200
54 73.63 736
55 51.88 519
56 3.17 32
65 4.5 45
66 10.59 106
67 99.99 999
68 56.9 569
73 2.87 29
77 3.56 36
79 6.21 62
81 95.77 958
82 5.45 55
95 7.88 79
96 54.77 548
97 4.68 47
//